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162104870 molecular structure
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(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-amine dihydrochloride

ChemBase ID: 90917
Molecular Formular: C10H15Cl2N3O
Molecular Mass: 264.1516
Monoisotopic Mass: 263.05921748
SMILES and InChIs

SMILES:
N1(C[C@@H](CC1)N)C(=O)c1cnccc1.Cl.Cl
Canonical SMILES:
N[C@@H]1CCN(C1)C(=O)c1cccnc1.Cl.Cl
InChI:
InChI=1S/C10H13N3O.2ClH/c11-9-3-5-13(7-9)10(14)8-2-1-4-12-6-8;;/h1-2,4,6,9H,3,5,7,11H2;2*1H/t9-;;/m1../s1
InChIKey:
DTWVYJHUIDJBBX-KLQYNRQASA-N

Cite this record

CBID:90917 http://www.chembase.cn/molecule-90917.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-amine dihydrochloride
IUPAC Traditional name
(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-amine dihydrochloride
Synonyms
(3R)-3-Amino-1-[(pyridin-3-yl)carbonyl]pyrrolidine dihydrochloride
3-{[(3R)-3-Aminopyrrolidin-1-yl]carbonyl}pyridine dihydrochloride
[(3R)-3-Aminopyrrolidin-1-yl](pyridin-3-yl)methanone dihydrochloride
PubChem SID
162104870
PubChem CID
53256886

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
OR63019 external link Add to cart Please log in.
Data Source Data ID
PubChem 53256886 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7751179  LogD (pH = 7.4) -2.7397544 
Log P -0.79521614  Molar Refractivity 53.2893 cm3
Polarizability 20.429749 Å3 Polar Surface Area 59.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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