2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid

C15H14N2O4 — CID 114324060

IUPAC2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)cc1O
InChIInChI=1S/C15H14N2O4/c1-9-2-3-10(7-13(9)18)14(19)17-8-12-6-11(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyFQMGFUIMHGSVOD-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.72
Rot. Bonds4

About 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324060) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324060
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)cc1O
InChIInChI=1S/C15H14N2O4/c1-9-2-3-10(7-13(9)18)14(19)17-8-12-6-11(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyFQMGFUIMHGSVOD-UHFFFAOYSA-N
XLogP1.72
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-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-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103400235
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(3-methylimidazole-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103510660
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324258
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107938249
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324451
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709417

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324060) is 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid is Cc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)cc1O.
What is the InChIKey of 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is FQMGFUIMHGSVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-2-3-10(7-13(9)18)14(19)17-8-12-6-11(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).