3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile

C14H16N2O — CID 80523719

IUPAC3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile
SMILESCC1(C(=O)C(C#N)c2cccnc2)CCCC1
InChIInChI=1S/C14H16N2O/c1-14(6-2-3-7-14)13(17)12(9-15)11-5-4-8-16-10-11/h4-5,8,10,12H,2-3,6-7H2,1H3
InChIKeyMLHIWVQZWDGLDN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.84
Rot. Bonds3

About 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile

3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile (PubChem CID 80523719) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile
PubChem CID80523719
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile
SMILESCC1(C(=O)C(C#N)c2cccnc2)CCCC1
InChIInChI=1S/C14H16N2O/c1-14(6-2-3-7-14)13(17)12(9-15)11-5-4-8-16-10-11/h4-5,8,10,12H,2-3,6-7H2,1H3
InChIKeyMLHIWVQZWDGLDN-UHFFFAOYSA-N
XLogP2.84
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-2-pyridin-3-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 80523694
ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
4,4-dimethyl-3-oxo-2-pyridin-3-ylhexanenitrile
CID 80523756
3-(2,3-dihydro-1H-inden-5-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523817
3-oxo-2-pyridin-3-ylundecanenitrile
CID 80523651
3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523816
3-(oxan-3-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523744
1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80604094
3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 81477793
3-oxo-2-pyridin-3-yl-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile
CID 80523478
3-(4-bromo-2-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523673
3-(3-bromo-4-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 81472043

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The IUPAC name of 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile (CID 80523719) is 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The canonical SMILES for 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile is CC1(C(=O)C(C#N)c2cccnc2)CCCC1.
What is the InChIKey of 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The InChIKey is MLHIWVQZWDGLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(6-2-3-7-14)13(17)12(9-15)11-5-4-8-16-10-11/h4-5,8,10,12H,2-3,6-7H2,1H3.
What are the key properties of 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile?
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile has a molecular weight of 228.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 80523719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).