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1021871-28-2 molecular structure
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2-amino-5-methylpyridine-3-carboxamide

ChemBase ID: 292446
Molecular Formular: C7H9N3O
Molecular Mass: 151.16586
Monoisotopic Mass: 151.07456192
SMILES and InChIs

SMILES:
O=C(N)c1c(N)ncc(C)c1
Canonical SMILES:
Cc1cnc(c(c1)C(=O)N)N
InChI:
InChI=1S/C7H9N3O/c1-4-2-5(7(9)11)6(8)10-3-4/h2-3H,1H3,(H2,8,10)(H2,9,11)
InChIKey:
OZZGFHIDEHLFCN-UHFFFAOYSA-N

Cite this record

CBID:292446 http://www.chembase.cn/molecule-292446.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-methylpyridine-3-carboxamide
IUPAC Traditional name
2-amino-5-methylpyridine-3-carboxamide
Synonyms
2-Amino-5-methylnicotinamide
CAS Number
1021871-28-2
PubChem SID
180677977
PubChem CID
66878280

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241274 Please log in.
Data Source Data ID
PubChem 66878280 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.900033  H Acceptors
H Donor LogD (pH = 5.5) 0.023608238 
LogD (pH = 7.4) 0.522093  Log P 0.5351666 
Molar Refractivity 43.0346 cm3 Polarizability 15.194089 Å3
Polar Surface Area 82.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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