2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid

C20H17N3O4 — CID 178064937

IUPAC2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccccc2)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C20H17N3O4/c1-27-17-10-9-14(22-19(24)13-6-3-2-4-7-13)12-16(17)23-18-15(20(25)26)8-5-11-21-18/h2-12H,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyFJCJSLCTRHRFOH-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.78
Rot. Bonds6

About 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid

2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 178064937) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID178064937
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccccc2)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C20H17N3O4/c1-27-17-10-9-14(22-19(24)13-6-3-2-4-7-13)12-16(17)23-18-15(20(25)26)8-5-11-21-18/h2-12H,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyFJCJSLCTRHRFOH-UHFFFAOYSA-N
XLogP3.78
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 178064922
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
CID 7130288
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide
CID 46323299
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid (CID 178064937) is 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid is COc1ccc(NC(=O)c2ccccc2)cc1Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is FJCJSLCTRHRFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-17-10-9-14(22-19(24)13-6-3-2-4-7-13)12-16(17)23-18-15(20(25)26)8-5-11-21-18/h2-12H,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid?
2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 178064937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).