2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H12N2O3 — CID 53270686

IUPAC2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccccc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H12N2O3/c1-9-5-2-3-7-11(9)16-13(17)12-10(14(18)19)6-4-8-15-12/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyQSBGAOVDBARJHA-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.34
Rot. Bonds3

About 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53270686) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53270686
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccccc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H12N2O3/c1-9-5-2-3-7-11(9)16-13(17)12-10(14(18)19)6-4-8-15-12/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyQSBGAOVDBARJHA-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

Analyze 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615274
2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615270
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
CID 62341176
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
2-[(2-docosoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001703
2-[(2-hexadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001704
2-[(2-octadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001702
2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154811

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 53270686) is 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is Cc1ccccc1NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is QSBGAOVDBARJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-5-2-3-7-11(9)16-13(17)12-10(14(18)19)6-4-8-15-12/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic 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 2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53270686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).