3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile

C8H9N3O — CID 130001746

IUPAC3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile
SMILESN#CCC(N)c1cc(=O)cc[nH]1
InChIInChI=1S/C8H9N3O/c9-3-1-7(10)8-5-6(12)2-4-11-8/h2,4-5,7H,1,10H2,(H,11,12)
InChIKeyIZHUNDBYZKWHFV-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.29
Rot. Bonds2

About 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile

3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile (PubChem CID 130001746) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile
PubChem CID130001746
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile
SMILESN#CCC(N)c1cc(=O)cc[nH]1
InChIInChI=1S/C8H9N3O/c9-3-1-7(10)8-5-6(12)2-4-11-8/h2,4-5,7H,1,10H2,(H,11,12)
InChIKeyIZHUNDBYZKWHFV-UHFFFAOYSA-N
XLogP0.29
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Aminomethyl)-4-hydroxypyridine
CID 21651943
2-[1-(pentan-3-ylamino)propyl]-1H-pyridin-4-one
CID 60048460
2-(1-Aminoethyl)pyridin-4-ol
CID 82651137
2-(1-amino-2-methylpropyl)-1H-pyridin-4-one
CID 130000243
2-[(1S)-1-amino-2-methylpropyl]-1H-pyridin-4-one
CID 130742577
4-Hydroxy-2-pyridineacetonitrile
CID 84762386
(S)-2-(1-Aminoethyl)pyridin-4-ol
CID 96848334
(R)-2-(1-Aminoethyl)pyridin-4-ol
CID 96848335
2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 96849478
2-[(2R)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 96849479
2-[(1S)-1-aminopropyl]-1H-pyridin-4-one
CID 131146246
2-[(1R)-1-aminopropyl]-1H-pyridin-4-one
CID 131195816

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile?
The IUPAC name of 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile (CID 130001746) is 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile is N#CCC(N)c1cc(=O)cc[nH]1.
What is the InChIKey of 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile?
The InChIKey is IZHUNDBYZKWHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-3-1-7(10)8-5-6(12)2-4-11-8/h2,4-5,7H,1,10H2,(H,11,12).
What are the key properties of 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile?
3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile has a molecular weight of 163.18 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile is sourced from PubChem (CID 130001746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).