3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid

C15H14N2O4 — CID 43350893

IUPAC3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
SMILESCOc1ncccc1C(=O)Nc1cc(C(=O)O)ccc1C
InChIInChI=1S/C15H14N2O4/c1-9-5-6-10(15(19)20)8-12(9)17-13(18)11-4-3-7-16-14(11)21-2/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyLIGQNQMTNSKBGY-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.35
Rot. Bonds4

About 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid

3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid (PubChem CID 43350893) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
PubChem CID43350893
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
SMILESCOc1ncccc1C(=O)Nc1cc(C(=O)O)ccc1C
InChIInChI=1S/C15H14N2O4/c1-9-5-6-10(15(19)20)8-12(9)17-13(18)11-4-3-7-16-14(11)21-2/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyLIGQNQMTNSKBGY-UHFFFAOYSA-N
XLogP2.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 62060853
3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
CID 56500125
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide
CID 79467189
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
N-(3-acetamido-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 33241731
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid (CID 43350893) is 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid is COc1ncccc1C(=O)Nc1cc(C(=O)O)ccc1C.
What is the InChIKey of 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid?
The InChIKey is LIGQNQMTNSKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-5-6-10(15(19)20)8-12(9)17-13(18)11-4-3-7-16-14(11)21-2/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid?
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 43350893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).