4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

C20H15ClN2O — CID 1487464

IUPAC4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cccc(Cn2ccc(-c3ccc(Cl)cc3)c(C#N)c2=O)c1
InChIInChI=1S/C20H15ClN2O/c1-14-3-2-4-15(11-14)13-23-10-9-18(19(12-22)20(23)24)16-5-7-17(21)8-6-16/h2-11H,13H2,1H3
InChIKeyLSWOCCZFZORIIT-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.40
Rot. Bonds3

About 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 1487464) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID1487464
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cccc(Cn2ccc(-c3ccc(Cl)cc3)c(C#N)c2=O)c1
InChIInChI=1S/C20H15ClN2O/c1-14-3-2-4-15(11-14)13-23-10-9-18(19(12-22)20(23)24)16-5-7-17(21)8-6-16/h2-11H,13H2,1H3
InChIKeyLSWOCCZFZORIIT-UHFFFAOYSA-N
XLogP4.40
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-1-[(3-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 1487464) is 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is Cc1cccc(Cn2ccc(-c3ccc(Cl)cc3)c(C#N)c2=O)c1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is LSWOCCZFZORIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-14-3-2-4-15(11-14)13-23-10-9-18(19(12-22)20(23)24)16-5-7-17(21)8-6-16/h2-11H,13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 334.81 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 1487464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).