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

C15H14N2O3 — CID 62340624

IUPAC3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
SMILESCc1cccnc1C(=O)Nc1c(C)cccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-9-5-3-7-11(15(19)20)12(9)17-14(18)13-10(2)6-4-8-16-13/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyNZNKIEDHMLRTES-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds3

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

3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid (PubChem CID 62340624) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
PubChem CID62340624
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
SMILESCc1cccnc1C(=O)Nc1c(C)cccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-9-5-3-7-11(15(19)20)12(9)17-14(18)13-10(2)6-4-8-16-13/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyNZNKIEDHMLRTES-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

2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
3-methyl-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 43358363
4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62338930
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058
2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154811
5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615147
N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
CID 62341176
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid (CID 62340624) is 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid is Cc1cccnc1C(=O)Nc1c(C)cccc1C(=O)O.
What is the InChIKey of 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is NZNKIEDHMLRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-5-3-7-11(15(19)20)12(9)17-14(18)13-10(2)6-4-8-16-13/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid?
3-methyl-2-[(3-methylpyridine-2-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 3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 62340624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).