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

C14H12N2O4 — CID 106703618

IUPAC3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H12N2O4/c1-8-6-10(14(19)20)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGUFXFXJVRCKKQI-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.63
Rot. Bonds3

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

3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid (PubChem CID 106703618) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
PubChem CID106703618
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H12N2O4/c1-8-6-10(14(19)20)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGUFXFXJVRCKKQI-UHFFFAOYSA-N
XLogP1.63
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103807580
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726
N-(5-acetamido-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764048
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
4-[[4-(chloromethyl)benzoyl]amino]-3-methylbenzoic acid
CID 43701836
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107687790
4-[(5-iodothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 79685348
3-amino-4-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 63117351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid (CID 106703618) is 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is GUFXFXJVRCKKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-6-10(14(19)20)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid?
3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 106703618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).