1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid

C20H17NO3 — CID 14075377

IUPAC1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
SMILESCc1ccc(-c2cc(=O)c(C(=O)O)c(-c3ccccc3)n2C)cc1
InChIInChI=1S/C20H17NO3/c1-13-8-10-14(11-9-13)16-12-17(22)18(20(23)24)19(21(16)2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)
InChIKeyBIPUGIRFHVZYTD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.73
Rot. Bonds3

About 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid

1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid (PubChem CID 14075377) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
PubChem CID14075377
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
SMILESCc1ccc(-c2cc(=O)c(C(=O)O)c(-c3ccccc3)n2C)cc1
InChIInChI=1S/C20H17NO3/c1-13-8-10-14(11-9-13)16-12-17(22)18(20(23)24)19(21(16)2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)
InChIKeyBIPUGIRFHVZYTD-UHFFFAOYSA-N
XLogP3.73
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid 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 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid (CID 14075377) is 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid is Cc1ccc(-c2cc(=O)c(C(=O)O)c(-c3ccccc3)n2C)cc1.
What is the InChIKey of 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid?
The InChIKey is BIPUGIRFHVZYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-8-10-14(11-9-13)16-12-17(22)18(20(23)24)19(21(16)2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24).
What are the key properties of 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid?
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 14075377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).