5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid

C15H15N3O4 — CID 3077597

IUPAC5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
SMILESCOc1ccccc1Nc1nc(C)c(C(=O)O)cc1C(N)=O
InChIInChI=1S/C15H15N3O4/c1-8-9(15(20)21)7-10(13(16)19)14(17-8)18-11-5-3-4-6-12(11)22-2/h3-7H,1-2H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyOBPCEZTXLWURNL-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.94
Rot. Bonds5

About 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid

5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid (PubChem CID 3077597) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
PubChem CID3077597
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
SMILESCOc1ccccc1Nc1nc(C)c(C(=O)O)cc1C(N)=O
InChIInChI=1S/C15H15N3O4/c1-8-9(15(20)21)7-10(13(16)19)14(17-8)18-11-5-3-4-6-12(11)22-2/h3-7H,1-2H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyOBPCEZTXLWURNL-UHFFFAOYSA-N
XLogP1.94
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid
CID 3077601
3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid
CID 89369426
2-amino-5-(2-methoxyanilino)pyridine-4-carboxamide
CID 114194675
2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid
CID 70545123
N-(2-methoxyphenyl)-3-methylquinoxalin-2-amine
CID 23821079
2-fluoro-5-(2-methoxyanilino)benzoic acid
CID 82537069
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
4-(2-methoxyanilino)quinazoline-7-carboxylic acid
CID 1414161
4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid
CID 13348413
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid (CID 3077597) is 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid is COc1ccccc1Nc1nc(C)c(C(=O)O)cc1C(N)=O.
What is the InChIKey of 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid?
The InChIKey is OBPCEZTXLWURNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8-9(15(20)21)7-10(13(16)19)14(17-8)18-11-5-3-4-6-12(11)22-2/h3-7H,1-2H3,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid?
5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 3077597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).