1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile

C15H14N2O — CID 82117100

IUPAC1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCc1ccc(-n2ccc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C15H14N2O/c1-3-12-4-6-13(7-5-12)17-9-8-11(2)14(10-16)15(17)18/h4-9H,3H2,1-2H3
InChIKeyLCHJOGZSPMULME-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds2

About 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile

1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 82117100) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID82117100
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCc1ccc(-n2ccc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C15H14N2O/c1-3-12-4-6-13(7-5-12)17-9-8-11(2)14(10-16)15(17)18/h4-9H,3H2,1-2H3
InChIKeyLCHJOGZSPMULME-UHFFFAOYSA-N
XLogP2.58
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile 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

1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82124750
1-(3-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117384
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
1-(2,4-dimethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117088
1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117382
4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
CID 126997451
2-(4-acetylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrole-3-carbonitrile
CID 42749026
4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile
CID 134852331
4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile
CID 13182728
4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
CID 86795241
1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82113564
1-(4-ethylphenyl)pyrazole-3-carbonitrile
CID 116818277

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 82117100) is 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile is CCc1ccc(-n2ccc(C)c(C#N)c2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is LCHJOGZSPMULME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-3-12-4-6-13(7-5-12)17-9-8-11(2)14(10-16)15(17)18/h4-9H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82117100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).