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

C15H14N2O4 — CID 115596430

IUPAC5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(C)[nH]c2=O)c(C(=O)O)c1
InChIInChI=1S/C15H14N2O4/c1-8-3-6-12(11(7-8)15(20)21)17-14(19)10-5-4-9(2)16-13(10)18/h3-7H,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyXNSDEAZOEFUIPV-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.94
Rot. Bonds3

About 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid

5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (PubChem CID 115596430) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
PubChem CID115596430
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(C)[nH]c2=O)c(C(=O)O)c1
InChIInChI=1S/C15H14N2O4/c1-8-3-6-12(11(7-8)15(20)21)17-14(19)10-5-4-9(2)16-13(10)18/h3-7H,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyXNSDEAZOEFUIPV-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-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590008
2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590012
4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 104772643
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104938593
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
6-methyl-N-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 87009467

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (CID 115596430) is 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is Cc1ccc(NC(=O)c2ccc(C)[nH]c2=O)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is XNSDEAZOEFUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-3-6-12(11(7-8)15(20)21)17-14(19)10-5-4-9(2)16-13(10)18/h3-7H,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
5-methyl-2-[(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 5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115596430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).