4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C20H15ClN2O — CID 19656970

IUPAC4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3Cl)c(C#N)c(=O)[nH]2)c(C)c1
InChIInChI=1S/C20H15ClN2O/c1-12-7-8-14(13(2)9-12)19-10-16(17(11-22)20(24)23-19)15-5-3-4-6-18(15)21/h3-10H,1-2H3,(H,23,24)
InChIKeyZLANBUXOMZJVBO-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.85
Rot. Bonds2

About 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656970) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656970
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3Cl)c(C#N)c(=O)[nH]2)c(C)c1
InChIInChI=1S/C20H15ClN2O/c1-12-7-8-14(13(2)9-12)19-10-16(17(11-22)20(24)23-19)15-5-3-4-6-18(15)21/h3-10H,1-2H3,(H,23,24)
InChIKeyZLANBUXOMZJVBO-UHFFFAOYSA-N
XLogP4.85
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-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-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656970) is 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccccc3Cl)c(C#N)c(=O)[nH]2)c(C)c1.
What is the InChIKey of 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZLANBUXOMZJVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-12-7-8-14(13(2)9-12)19-10-16(17(11-22)20(24)23-19)15-5-3-4-6-18(15)21/h3-10H,1-2H3,(H,23,24).
What are the key properties of 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 334.81 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).