3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid

C13H13N3O4 — CID 105063309

IUPAC3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCOc1cnccc1C(=O)Nc1cc(C)[nH]c1C(=O)O
InChIInChI=1S/C13H13N3O4/c1-7-5-9(11(15-7)13(18)19)16-12(17)8-3-4-14-6-10(8)20-2/h3-6,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyIXDRWCBKBLLNMX-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.68
Rot. Bonds4

About 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid

3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 105063309) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID105063309
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCOc1cnccc1C(=O)Nc1cc(C)[nH]c1C(=O)O
InChIInChI=1S/C13H13N3O4/c1-7-5-9(11(15-7)13(18)19)16-12(17)8-3-4-14-6-10(8)20-2/h3-6,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyIXDRWCBKBLLNMX-UHFFFAOYSA-N
XLogP1.68
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
CID 113483053
3-[(2-chloro-4-methylbenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106860696
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950
3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 113483076
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 107013823
3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
CID 81440136

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid (CID 105063309) is 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid is COc1cnccc1C(=O)Nc1cc(C)[nH]c1C(=O)O.
What is the InChIKey of 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is IXDRWCBKBLLNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-5-9(11(15-7)13(18)19)16-12(17)8-3-4-14-6-10(8)20-2/h3-6,15H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 105063309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).