3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile

C12H16N4O — CID 137450920

IUPAC3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile
SMILESN#CCCN1CC[C@@H](n2cccc(N)c2=O)C1
InChIInChI=1S/C12H16N4O/c13-5-2-6-15-8-4-10(9-15)16-7-1-3-11(14)12(16)17/h1,3,7,10H,2,4,6,8-9,14H2/t10-/m1/s1
InChIKeyWMPVMVUOXCITLA-SNVBAGLBSA-N
MW232.29 g/mol
LogP0.59
Rot. Bonds3

About 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile

3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile (PubChem CID 137450920) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile
PubChem CID137450920
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile
SMILESN#CCCN1CC[C@@H](n2cccc(N)c2=O)C1
InChIInChI=1S/C12H16N4O/c13-5-2-6-15-8-4-10(9-15)16-7-1-3-11(14)12(16)17/h1,3,7,10H,2,4,6,8-9,14H2/t10-/m1/s1
InChIKeyWMPVMVUOXCITLA-SNVBAGLBSA-N
XLogP0.59
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one
CID 137457784
tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 137457508
3-amino-1-cyclopropylpyridin-2-one
CID 82466689
3-[(3S)-3-[6-[(5S)-1-(2-cyanoethyl)-5-[2-oxo-3-(propan-2-ylamino)-1-pyridinyl]piperidin-3-yl]-2-oxo-3-(sulfanylamino)-1-pyridinyl]pyrrolidin-1-yl]propanenitrile
CID 155007500
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 137441431
3-[(3R)-3-ethynylpyrrolidin-1-yl]propanenitrile
CID 154661669
3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one
CID 137457656
3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 146572606
3-[4-(4-aminophenyl)piperidin-1-yl]propanenitrile
CID 89306197
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
CID 162308207
3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156737838
1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one
CID 177200034

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile?
The IUPAC name of 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile (CID 137450920) is 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile is N#CCCN1CC[C@@H](n2cccc(N)c2=O)C1.
What is the InChIKey of 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile?
The InChIKey is WMPVMVUOXCITLA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4O/c13-5-2-6-15-8-4-10(9-15)16-7-1-3-11(14)12(16)17/h1,3,7,10H,2,4,6,8-9,14H2/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile?
3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile has a molecular weight of 232.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 137450920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).