2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid

C15H14N2O3 — CID 63021015

IUPAC2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
SMILESCc1cc(NC(=O)c2ccncc2)cc(C(=O)O)c1C
InChIInChI=1S/C15H14N2O3/c1-9-7-12(8-13(10(9)2)15(19)20)17-14(18)11-3-5-16-6-4-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyTUMSSCPSQSTYFT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds3

About 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid

2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid (PubChem CID 63021015) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
PubChem CID63021015
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
SMILESCc1cc(NC(=O)c2ccncc2)cc(C(=O)O)c1C
InChIInChI=1S/C15H14N2O3/c1-9-7-12(8-13(10(9)2)15(19)20)17-14(18)11-3-5-16-6-4-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyTUMSSCPSQSTYFT-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid
CID 63020674
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
2-ethyl-4-(pyridine-4-carbonylamino)benzoic acid
CID 19699090
2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030951
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 104638237
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63020357
3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid
CID 141031699

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid?
The IUPAC name of 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid (CID 63021015) is 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid?
The canonical SMILES for 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid is Cc1cc(NC(=O)c2ccncc2)cc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid?
The InChIKey is TUMSSCPSQSTYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-7-12(8-13(10(9)2)15(19)20)17-14(18)11-3-5-16-6-4-11/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid?
2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 63021015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).