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

C15H14N2O4 — CID 105063077

IUPAC4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
SMILESCOc1cnccc1C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C15H14N2O4/c1-9-7-10(15(19)20)3-4-12(9)17-14(18)11-5-6-16-8-13(11)21-2/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyAFZRZTGXSLVDNX-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.35
Rot. Bonds4

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

4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 105063077) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
PubChem CID105063077
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
SMILESCOc1cnccc1C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C15H14N2O4/c1-9-7-10(15(19)20)3-4-12(9)17-14(18)11-5-6-16-8-13(11)21-2/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyAFZRZTGXSLVDNX-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

4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 105063309
3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
CID 81440136
4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
CID 28671790
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid (CID 105063077) is 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid is COc1cnccc1C(=O)Nc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is AFZRZTGXSLVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-7-10(15(19)20)3-4-12(9)17-14(18)11-5-6-16-8-13(11)21-2/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid?
4-[(3-methoxypyridine-4-carbonyl)amino]-3-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 4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 105063077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).