5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid

C15H14N2O3 — CID 24702059

IUPAC5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(C)nc2)c(C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c1-9-3-6-13(12(7-9)15(19)20)17-14(18)11-5-4-10(2)16-8-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyJLIUJSDJOQSTAT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds3

About 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid

5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 24702059) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID24702059
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(C)nc2)c(C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c1-9-3-6-13(12(7-9)15(19)20)17-14(18)11-5-4-10(2)16-8-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyJLIUJSDJOQSTAT-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 51331568
5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid
CID 110488447
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
3-[(6-methylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 16782205

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid (CID 24702059) is 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid is Cc1ccc(NC(=O)c2ccc(C)nc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is JLIUJSDJOQSTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-3-6-13(12(7-9)15(19)20)17-14(18)11-5-4-10(2)16-8-11/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 24702059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).