(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile

C16H20N2O — CID 95899867

IUPAC(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile
SMILESN#C[C@@H](C(=O)CCC1CCCCC1)c1ccccn1
InChIInChI=1S/C16H20N2O/c17-12-14(15-8-4-5-11-18-15)16(19)10-9-13-6-2-1-3-7-13/h4-5,8,11,13-14H,1-3,6-7,9-10H2/t14-/m1/s1
InChIKeyKGBURXYWIMSICU-CQSZACIVSA-N
MW256.35 g/mol
LogP3.62
Rot. Bonds5

About (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile

(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile (PubChem CID 95899867) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile.

Molecular Properties

Compound Name(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile
PubChem CID95899867
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile
SMILESN#C[C@@H](C(=O)CCC1CCCCC1)c1ccccn1
InChIInChI=1S/C16H20N2O/c17-12-14(15-8-4-5-11-18-15)16(19)10-9-13-6-2-1-3-7-13/h4-5,8,11,13-14H,1-3,6-7,9-10H2/t14-/m1/s1
InChIKeyKGBURXYWIMSICU-CQSZACIVSA-N
XLogP3.62
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile
CID 43156875
5-cyclopentyl-2-(3-methylphenyl)-3-oxopentanenitrile
CID 62828902
(1R)-2-cyclohexyl-1-pyridin-2-ylethanamine
CID 15808925
S-[(3S)-3-cyano-2-oxo-3-pyridin-2-ylpropyl] ethanethioate
CID 41038214
N-[cyano(pyridin-2-yl)methyl]-N-methylcyclohexanecarboxamide
CID 82120784
5-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-3-oxo-2-pyridin-2-ylpentanenitrile
CID 47029312
3-(2,2-dimethylcyclopropyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 103839482
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908797
(2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile
CID 96565445
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
3-(2-bicyclo[2.2.1]heptanyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47179799
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141

Frequently Asked Questions

What is the IUPAC name of (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile?
The IUPAC name of (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile (CID 95899867) is (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile.
What is the SMILES notation for (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile?
The canonical SMILES for (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile is N#C[C@@H](C(=O)CCC1CCCCC1)c1ccccn1.
What is the InChIKey of (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile?
The InChIKey is KGBURXYWIMSICU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O/c17-12-14(15-8-4-5-11-18-15)16(19)10-9-13-6-2-1-3-7-13/h4-5,8,11,13-14H,1-3,6-7,9-10H2/t14-/m1/s1.
What are the key properties of (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile?
(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile has a molecular weight of 256.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile is sourced from PubChem (CID 95899867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).