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

C14H11ClN2O4 — CID 115590012

IUPAC2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(=O)[nH]1
InChIInChI=1S/C14H11ClN2O4/c1-7-2-4-9(12(18)16-7)13(19)17-8-3-5-11(15)10(6-8)14(20)21/h2-6H,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyUCAAPEDZUYXDOS-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.29
Rot. Bonds3

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

2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (PubChem CID 115590012) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
PubChem CID115590012
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(=O)[nH]1
InChIInChI=1S/C14H11ClN2O4/c1-7-2-4-9(12(18)16-7)13(19)17-8-3-5-11(15)10(6-8)14(20)21/h2-6H,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyUCAAPEDZUYXDOS-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

N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71865261
4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 104772643
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115596430
N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993657
N-(4-bromo-3-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113241584
N-(4-amino-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736650
2-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]acetic acid
CID 115736177
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104938593
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590008
methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 115584192

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (CID 115590012) is 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(=O)[nH]1.
What is the InChIKey of 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is UCAAPEDZUYXDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-7-2-4-9(12(18)16-7)13(19)17-8-3-5-11(15)10(6-8)14(20)21/h2-6H,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
2-chloro-5-[(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 2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115590012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).