4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid

C15H14N2O3 — CID 62341325

IUPAC4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
SMILESCc1cccnc1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O3/c1-10-3-2-8-16-13(10)14(18)17-9-11-4-6-12(7-5-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyLRSIAGQSHWSHNK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.02
Rot. Bonds4

About 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid

4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid (PubChem CID 62341325) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
PubChem CID62341325
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
SMILESCc1cccnc1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O3/c1-10-3-2-8-16-13(10)14(18)17-9-11-4-6-12(7-5-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyLRSIAGQSHWSHNK-UHFFFAOYSA-N
XLogP2.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
4-[[(2,6-dimethylbenzoyl)amino]methyl]benzoic acid
CID 103925447
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpyridine-2-carboxamide
CID 62339830
4-[[3-(3-methyl-2-pyridinyl)propylcarbamoylamino]methyl]benzoic acid
CID 122016401
ethane;4-methylbenzoic acid;3-methylpyridine-2-carboxylic acid
CID 178019084
4-(benzamidomethyl)benzoic acid
CID 10879683
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379682
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid (CID 62341325) is 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid is Cc1cccnc1C(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid?
The InChIKey is LRSIAGQSHWSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-2-8-16-13(10)14(18)17-9-11-4-6-12(7-5-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid?
4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 62341325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).