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

C15H14N2O4 — CID 107670890

IUPAC2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1cc(O)ccc1C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H14N2O4/c1-9-6-12(18)2-3-13(9)14(19)17-8-11-7-10(15(20)21)4-5-16-11/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyYVUYEDKUSOMDFK-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.72
Rot. Bonds4

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

2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 107670890) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID107670890
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1cc(O)ccc1C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H14N2O4/c1-9-6-12(18)2-3-13(9)14(19)17-8-11-7-10(15(20)21)4-5-16-11/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyYVUYEDKUSOMDFK-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

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Related Compounds

2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324060
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113341365
2-[[(2-amino-4-bromobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324791
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
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324148
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324147
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324258

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid (CID 107670890) is 2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid is Cc1cc(O)ccc1C(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is YVUYEDKUSOMDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-6-12(18)2-3-13(9)14(19)17-8-11-7-10(15(20)21)4-5-16-11/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(4-hydroxy-2-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-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 107670890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).