N-(1H-indol-6-yl)-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 225058
• Molecular Formular: C15H13N3O3
• Molecular Mass: 283.28202
• Monoisotopic Mass: 283.09569129
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)Nc1cc2[nH]ccc2cc1
• Canonical SMILES: COc1c[nH]c(cc1=O)C(=O)Nc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C15H13N3O3/c1-21-14-8-17-12(7-13(14)19)15(20)18-10-3-2-9-4-5-16-11(9)6-10/h2-8,16H,1H3,(H,17,19)(H,18,20)
• InChIKey: OGUVNCFEOUWFRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-6-yl)-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: N-(1H-indol-6-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Database IDs

• PubChem SID: 164280968
• PubChem CID: 52905660

CALCULATED PROPERTIES

• Acid pKa: 6.6639333
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.2730633
• LogD (pH = 7.4): 0.5914273
• Log P: 1.3004451
• Molar Refractivity: 81.0041 cm^3
• Polarizability: 30.303444 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds