Chembase list of 866358 unique molecular structures

2-{[(2-chlorophenyl)methyl]amino}pyridine-3-carbonitrile

$$$$ Data

M. F.

C13H10ClN3

Suppliers	Catalog Number
Matrix Scientific	036650
Enamine	EN300-43140

Database	Data ID
PubChem	17221183

M. W.

243.6916

CAS

Similarity

N/A

ID: 33902

2-{[(4-fluorophenyl)methyl]amino}pyridine-3-carbonitrile

$$$$ Data

M. F.

C13H10FN3

Suppliers	Catalog Number
Matrix Scientific	036651

Database	Data ID
PubChem	17221184

M. W.

227.2370032

CAS

Similarity

N/A

ID: 33903

2-[(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile

$$$$ Data

M. F.

C11H9N3S

Suppliers	Catalog Number
Matrix Scientific	036652

Database	Data ID
PubChem	17221185

M. W.

215.27426

CAS

Similarity

N/A

ID: 33904

2-[(furan-2-ylmethyl)amino]pyridine-3-carbonitrile

$$$$ Data

M. F.

C11H9N3O

Suppliers	Catalog Number
Matrix Scientific	036653

Database	Data ID
PubChem	17221186

M. W.

199.20866

CAS

Similarity

N/A

ID: 33905

2-[(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile

$$$$ Data

M. F.

C12H10N4

Suppliers	Catalog Number
Matrix Scientific	036654

Database	Data ID
PubChem	16459902

M. W.

210.2346

CAS

Similarity

N/A

ID: 33906

2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C11H14N4

Suppliers	Catalog Number
ChemBridge	4028901
Matrix Scientific	036655

Database	Data ID
PubChem	819367

M. W.

202.25566

CAS

52943-14-3

Similarity

N/A

ID: 33907

1-(3-cyanopyridin-2-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C12H14N4O

Suppliers	Catalog Number
Matrix Scientific	036656
Enamine	EN300-69093

Database	Data ID
PubChem	2813162

M. W.

230.26576

CAS

Similarity

N/A

ID: 33908

2-[(3-methoxypropyl)amino]pyridine-3-carbonitrile

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Matrix Scientific	036657

Database	Data ID
PubChem	17221189

M. W.

191.22972

CAS

Similarity

N/A

ID: 33909

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

$$$$ Data

M. F.

C12H17N3O3

Suppliers	Catalog Number
Matrix Scientific	036658

Database	Data ID
PubChem	5200419

M. W.

251.28168

CAS

Similarity

N/A

ID: 33910

3-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Matrix Scientific	036659
Enamine	EN300-45207

Database	Data ID
PubChem	751782

M. W.

234.2081

CAS

Similarity

N/A

ID: 33911

2-amino-7-(4-tert-butylphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

$$$$ Data

M. F.

C18H21N3O

Suppliers	Catalog Number
Matrix Scientific	036660

Database	Data ID
PubChem	2942093

M. W.

295.37884

CAS

Similarity

N/A

ID: 33912

2-amino-7-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

$$$$ Data

M. F.

C15H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036661
InterBioScreen	STOCK1N-32782

Database	Data ID
PubChem	2772367

M. W.

269.2985

CAS

Similarity

N/A

ID: 33913

2-amino-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

$$$$ Data

M. F.

C14H12FN3O

Suppliers	Catalog Number
Matrix Scientific	036662

Database	Data ID
PubChem	4583122

M. W.

257.2629832

CAS

Similarity

N/A

ID: 33914

2-chloro-N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide

$$$$ Data

M. F.

C14H12ClN3O3

Suppliers	Catalog Number
Matrix Scientific	036663

Database	Data ID
PubChem	3836413

M. W.

305.71638

CAS

Similarity

N/A

ID: 33915

2-chloro-N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide

$$$$ Data

M. F.

C12H14ClN3O2

Suppliers	Catalog Number
Matrix Scientific	036664

Database	Data ID
PubChem	3818431

M. W.

267.71146

CAS

Similarity

N/A

ID: 33916

3-aminothieno[2,3-b]pyridine-2-carbohydrazide

$$$$ Data

M. F.

C8H8N4OS

Suppliers	Catalog Number
Matrix Scientific	036665

Database	Data ID
PubChem	8027126

M. W.

208.24032

CAS

Similarity

N/A

ID: 33917

5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C11H11N5S2

Suppliers	Catalog Number
Matrix Scientific	036666

Database	Data ID
PubChem	16459942

M. W.

277.36854

CAS

Similarity

N/A

ID: 33918

4,5-dihydro-1H-pyrazol-3-ol hydrochloride

$$$$ Data

M. F.

C3H7ClN2O

Suppliers	Catalog Number
Matrix Scientific	036667

Database	Data ID
PubChem	2733712

M. W.

122.55348

CAS

1752-88-1

Similarity

N/A

ID: 33919

2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]pyridine-3-carbonitrile

$$$$ Data

M. F.

C14H11N3O2

Suppliers	Catalog Number
Matrix Scientific	036668

Database	Data ID
PubChem	5311914

M. W.

253.25604

CAS

Similarity

N/A

ID: 33920

1-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-ol

$$$$ Data

M. F.

C11H6F3N3OS

Suppliers	Catalog Number
Matrix Scientific	036669

Database	Data ID
PubChem	668035

M. W.

285.2450496

CAS

Similarity

N/A

ID: 33921

1-(2H-1,3-benzodioxol-5-ylmethyl)piperidin-4-amine dihydrochloride

$$$$ Data

M. F.

C13H20Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	036670

Database	Data ID
PubChem	22348316

M. W.

307.2161

CAS

Similarity

N/A

ID: 33922

1-(2-chloroacetyl)-4-(piperidin-1-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C13H22ClN3O2

Suppliers	Catalog Number
Matrix Scientific	036671
A&J Pharmtech	AJA-O32939

Database	Data ID
PubChem	945691

M. W.

287.78568

CAS

516455-85-9

Similarity

N/A

ID: 33923

methyl 2-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)acetate

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Matrix Scientific	036672
InterBioScreen	BB_SC-7557

Database	Data ID
PubChem	715399

M. W.

232.23528

CAS

Similarity

N/A

ID: 33924

2-(diethylamino)pyridine-3-carbonitrile

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Matrix Scientific	036673
Bide Pharmatech	BD177156

Database	Data ID
PubChem	10012430

M. W.

175.23032

CAS

17782-02-4

Similarity

N/A

ID: 33925

2-hydrazinyl-3-(2-methoxyphenyl)-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C15H14N4O2

Suppliers	Catalog Number
Matrix Scientific	036674

Database	Data ID
PubChem	15562164

M. W.

282.29726

CAS

Similarity

N/A

ID: 33926

2-(butylamino)pyridine-3-carbonitrile

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Matrix Scientific	036675
A&J Pharmtech	AJA-O5446

Database	Data ID
PubChem	12602979

M. W.

175.23032

CAS

74611-50-0

Similarity

N/A

ID: 33927

2-[(2-aminophenyl)sulfanyl]pyridine-3-carbonitrile

$$$$ Data

M. F.

C12H9N3S

Suppliers	Catalog Number
Matrix Scientific	036676

Database	Data ID
PubChem	16459903

M. W.

227.28496

CAS

Similarity

N/A

ID: 33928

methyl 3-(piperazine-1-sulfonyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C10H14N2O4S2

Suppliers	Catalog Number
Matrix Scientific	036677

Database	Data ID
PubChem	16646038

M. W.

290.35916

CAS

Similarity

N/A

ID: 33929

methyl 2-[5-hydroxy-1-(pyridin-2-yl)-1H-pyrazol-3-yl]acetate

$$$$ Data

M. F.

C11H11N3O3

Suppliers	Catalog Number
Matrix Scientific	036678

Database	Data ID
PubChem	17609481

M. W.

233.22334

CAS

Similarity

N/A

ID: 33930

5-chloro-3-(morpholine-4-sulfonyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C9H10ClNO5S2

Suppliers	Catalog Number
Matrix Scientific	036679

Database	Data ID
PubChem	16766631

M. W.

311.7624

CAS

Similarity

N/A

ID: 33931

(1H-indol-4-ylmethyl)[2-(4-methoxyphenyl)ethyl]amine hydrochloride

$$$$ Data

M. F.

C18H21ClN2O

Suppliers	Catalog Number
Matrix Scientific	036680

Database	Data ID
PubChem	46736933

M. W.

316.82514

CAS

Similarity

N/A

ID: 33932

(1H-indol-4-ylmethyl)(thiophen-2-ylmethyl)amine; oxalic acid

$$$$ Data

M. F.

C16H16N2O4S

Suppliers	Catalog Number
Matrix Scientific	036681

Database	Data ID
PubChem	46736934

M. W.

332.37424

CAS

Similarity

N/A

ID: 33933

2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N4

Suppliers	Catalog Number
Matrix Scientific	036682
InterBioScreen	BB_SC-8940

Database	Data ID
PubChem	46736935

M. W.

275.17754

CAS

Similarity

N/A

ID: 33934

2-[(2,2-dimethoxyethyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C11H13N3O4

Suppliers	Catalog Number
Matrix Scientific	036683

Database	Data ID
PubChem	17221324

M. W.

251.23862

CAS

Similarity

N/A

ID: 33935

2-{[(3-methoxyphenyl)methyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C15H13N3O3

Suppliers	Catalog Number
Matrix Scientific	036684

Database	Data ID
PubChem	4822724

M. W.

283.28202

CAS

Similarity

N/A

ID: 33936

2-(butylamino)-5-nitrobenzonitrile

$$$$ Data

M. F.

C11H13N3O2

Suppliers	Catalog Number
Matrix Scientific	036685

Database	Data ID
PubChem	17221325

M. W.

219.23982

CAS

Similarity

N/A

ID: 33937

2-[(2,5-dimethoxyphenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C15H13N3O4

Suppliers	Catalog Number
Matrix Scientific	036686

Database	Data ID
PubChem	17221326

M. W.

299.28142

CAS

Similarity

N/A

ID: 33938

5-nitro-2-(propylamino)benzonitrile

$$$$ Data

M. F.

C10H11N3O2

Suppliers	Catalog Number
Matrix Scientific	036687

Database	Data ID
PubChem	16459918

M. W.

205.21324

CAS

Similarity

N/A

ID: 33939

2-[(2-methylpropyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C11H13N3O2

Suppliers	Catalog Number
Matrix Scientific	036688

Database	Data ID
PubChem	9261863

M. W.

219.23982

CAS

Similarity

N/A

ID: 33940

5-nitro-2-(pentylamino)benzonitrile

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036689

Database	Data ID
PubChem	17221327

M. W.

233.2664

CAS

Similarity

N/A

ID: 33941

2-[(2-hydroxyethyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C9H9N3O3

Suppliers	Catalog Number
Matrix Scientific	036690

Database	Data ID
PubChem	600590

M. W.

207.18606

CAS

63989-40-2

Similarity

N/A

ID: 33942

2-[(3-hydroxypropyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C10H11N3O3

Suppliers	Catalog Number
Matrix Scientific	036691

Database	Data ID
PubChem	16459919

M. W.

221.21264

CAS

Similarity

N/A

ID: 33943

2-(cyclopropylamino)-5-nitrobenzonitrile

$$$$ Data

M. F.

C10H9N3O2

Suppliers	Catalog Number
Matrix Scientific	036692

Database	Data ID
PubChem	17221329

M. W.

203.19736

CAS

Similarity

N/A

ID: 33944

2-(cyclopentylamino)-5-nitrobenzonitrile

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
Matrix Scientific	036693

Database	Data ID
PubChem	4307711

M. W.

231.25052

CAS

Similarity

N/A

ID: 33945

2-(cyclohexylamino)-5-nitrobenzonitrile

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036694

Database	Data ID
PubChem	17221330

M. W.

245.2771

CAS

Similarity

N/A

ID: 33946

2-(benzylamino)-5-nitrobenzonitrile

$$$$ Data

M. F.

C14H11N3O2

Suppliers	Catalog Number
Matrix Scientific	036695

Database	Data ID
PubChem	9186747

M. W.

253.25604

CAS

Similarity

N/A

ID: 33947

2-{[(4-methoxyphenyl)methyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C15H13N3O3

Suppliers	Catalog Number
Matrix Scientific	036696

Database	Data ID
PubChem	4004879

M. W.

283.28202

CAS

Similarity

N/A

ID: 33948

2-{[(4-chlorophenyl)methyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C14H10ClN3O2

Suppliers	Catalog Number
Matrix Scientific	036697

Database	Data ID
PubChem	3933879

M. W.

287.7011

CAS

Similarity

N/A

ID: 33949

2-{[(2-chlorophenyl)methyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C14H10ClN3O2

Suppliers	Catalog Number
Matrix Scientific	036698

Database	Data ID
PubChem	3374472

M. W.

287.7011

CAS

Similarity

N/A

ID: 33950

2-{[(4-fluorophenyl)methyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C14H10FN3O2

Suppliers	Catalog Number
Matrix Scientific	036699

Database	Data ID
PubChem	3982755

M. W.

271.2465032

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified