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

C14H11ClN2O4 — CID 104772643

IUPAC4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c(=O)[nH]1
InChIInChI=1S/C14H11ClN2O4/c1-7-2-4-9(12(18)16-7)13(19)17-11-6-8(14(20)21)3-5-10(11)15/h2-6H,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyLGCVKDXMMQQXGP-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.29
Rot. Bonds3

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

4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (PubChem CID 104772643) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
PubChem CID104772643
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c(=O)[nH]1
InChIInChI=1S/C14H11ClN2O4/c1-7-2-4-9(12(18)16-7)13(19)17-11-6-8(14(20)21)3-5-10(11)15/h2-6H,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyLGCVKDXMMQQXGP-UHFFFAOYSA-N
XLogP2.29
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.29
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
5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115596430
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
6-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497325
N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71865261
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (CID 104772643) is 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c(=O)[nH]1.
What is the InChIKey of 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is LGCVKDXMMQQXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-7-2-4-9(12(18)16-7)13(19)17-11-6-8(14(20)21)3-5-10(11)15/h2-6H,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 306.71 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104772643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).