2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid

C15H13ClN2O3 — CID 118541226

IUPAC2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC(=O)c2cnc(C)c(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O3/c1-8-3-4-11(15(20)21)13(5-8)18-14(19)10-6-12(16)9(2)17-7-10/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyKFSXVRXBGAYSRJ-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.30
Rot. Bonds3

About 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid

2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid (PubChem CID 118541226) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
PubChem CID118541226
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC(=O)c2cnc(C)c(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O3/c1-8-3-4-11(15(20)21)13(5-8)18-14(19)10-6-12(16)9(2)17-7-10/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyKFSXVRXBGAYSRJ-UHFFFAOYSA-N
XLogP3.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
5-chloro-N-(2-fluoro-5-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62242553
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
6-amino-5-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153220
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
5-chloro-6-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 62166153
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The IUPAC name of 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid (CID 118541226) is 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(NC(=O)c2cnc(C)c(Cl)c2)c1.
What is the InChIKey of 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The InChIKey is KFSXVRXBGAYSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-8-3-4-11(15(20)21)13(5-8)18-14(19)10-6-12(16)9(2)17-7-10/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid?
2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid has a molecular weight of 304.73 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 118541226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).