4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid

C15H14N2O4 — CID 115590008

IUPAC4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)c(=O)[nH]1
InChIInChI=1S/C15H14N2O4/c1-8-3-5-10(15(20)21)7-12(8)17-14(19)11-6-4-9(2)16-13(11)18/h3-7H,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyPTPKHVBQJSDVJX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.94
Rot. Bonds3

About 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid

4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (PubChem CID 115590008) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
PubChem CID115590008
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)c(=O)[nH]1
InChIInChI=1S/C15H14N2O4/c1-8-3-5-10(15(20)21)7-12(8)17-14(19)11-6-4-9(2)16-13(11)18/h3-7H,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyPTPKHVBQJSDVJX-UHFFFAOYSA-N
XLogP1.94
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 104772643
5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115596430
3-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylbenzoic acid
CID 137147737
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
N-(2,5-dimethylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497845
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (CID 115590008) is 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2C)c(=O)[nH]1.
What is the InChIKey of 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is PTPKHVBQJSDVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-3-5-10(15(20)21)7-12(8)17-14(19)11-6-4-9(2)16-13(11)18/h3-7H,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115590008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).