2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid

C14H12N2O3 — CID 738391

IUPAC2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccnc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H12N2O3/c1-9-5-4-8-15-12(9)16-13(17)10-6-2-3-7-11(10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)
InChIKeyYLIIKFWDUODSIV-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.34
Rot. Bonds3

About 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid

2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid (PubChem CID 738391) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
PubChem CID738391
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccnc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H12N2O3/c1-9-5-4-8-15-12(9)16-13(17)10-6-2-3-7-11(10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)
InChIKeyYLIIKFWDUODSIV-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

N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244313
2-hydrazinyl-N-(3-methyl-2-pyridinyl)benzamide
CID 62236931
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 60817021
N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3398462
2,5-dimethyl-N-(3-methyl-2-pyridinyl)furan-3-carboxamide
CID 25344560
2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654434
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid (CID 738391) is 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid is Cc1cccnc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The InChIKey is YLIIKFWDUODSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-5-4-8-15-12(9)16-13(17)10-6-2-3-7-11(10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid?
2-[(3-methyl-2-pyridinyl)carbamoyl]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 2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid is sourced from PubChem (CID 738391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).