3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid

C14H12N2O4 — CID 107674941

IUPAC3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)Nc2cnccc2C(=O)O)ccc1O
InChIInChI=1S/C14H12N2O4/c1-8-6-9(2-3-12(8)17)13(18)16-11-7-15-5-4-10(11)14(19)20/h2-7,17H,1H3,(H,16,18)(H,19,20)
InChIKeyZRJOMUGWVYARCO-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.05
Rot. Bonds3

About 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid

3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid (PubChem CID 107674941) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid
PubChem CID107674941
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)Nc2cnccc2C(=O)O)ccc1O
InChIInChI=1S/C14H12N2O4/c1-8-6-9(2-3-12(8)17)13(18)16-11-7-15-5-4-10(11)14(19)20/h2-7,17H,1H3,(H,16,18)(H,19,20)
InChIKeyZRJOMUGWVYARCO-UHFFFAOYSA-N
XLogP2.05
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromo-5-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 104850800
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 81445783
4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
CID 112548050
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103958263
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103955332

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid (CID 107674941) is 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid is Cc1cc(C(=O)Nc2cnccc2C(=O)O)ccc1O.
What is the InChIKey of 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid?
The InChIKey is ZRJOMUGWVYARCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-6-9(2-3-12(8)17)13(18)16-11-7-15-5-4-10(11)14(19)20/h2-7,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid?
3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107674941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).