4-methyl-3-(pyridine-2-carbonylamino)benzoic acid

C14H12N2O3 — CID 16771811

IUPAC4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1ccccn1
InChIInChI=1S/C14H12N2O3/c1-9-5-6-10(14(18)19)8-12(9)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyQGFMBCVGJUJWSX-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.34
Rot. Bonds3

About 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid

4-methyl-3-(pyridine-2-carbonylamino)benzoic acid (PubChem CID 16771811) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
PubChem CID16771811
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1ccccn1
InChIInChI=1S/C14H12N2O3/c1-9-5-6-10(14(18)19)8-12(9)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyQGFMBCVGJUJWSX-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxybenzoyl)amino]-4-(pyridine-2-carbonylamino)benzoic acid
CID 154791964
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 87001470
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 81228538
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid (CID 16771811) is 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1ccccn1.
What is the InChIKey of 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid?
The InChIKey is QGFMBCVGJUJWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-5-6-10(14(18)19)8-12(9)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid?
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyridine-2-carbonylamino)benzoic acid is sourced from PubChem (CID 16771811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).