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

C15H13ClN2O3 — CID 81228538

IUPAC3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
SMILESCc1cc(Cl)c(C(=O)Nc2cc(C(=O)O)ccc2C)cn1
InChIInChI=1S/C15H13ClN2O3/c1-8-3-4-10(15(20)21)6-13(8)18-14(19)11-7-17-9(2)5-12(11)16/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyWUASWABKVJOJGI-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.30
Rot. Bonds3

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

3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid (PubChem CID 81228538) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
PubChem CID81228538
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
SMILESCc1cc(Cl)c(C(=O)Nc2cc(C(=O)O)ccc2C)cn1
InChIInChI=1S/C15H13ClN2O3/c1-8-3-4-10(15(20)21)6-13(8)18-14(19)11-7-17-9(2)5-12(11)16/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyWUASWABKVJOJGI-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-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857
N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81226013
4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide
CID 81226665
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
N-(5-chloro-2-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233865
4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid (CID 81228538) is 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid is Cc1cc(Cl)c(C(=O)Nc2cc(C(=O)O)ccc2C)cn1.
What is the InChIKey of 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The InChIKey is WUASWABKVJOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-8-3-4-10(15(20)21)6-13(8)18-14(19)11-7-17-9(2)5-12(11)16/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid?
3-[(4-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 3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 81228538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).