2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 226113
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c1(cn(c(cc1=O)C)C)OCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(COc1cn(C)c(cc1=O)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H21N3O3/c1-13-9-17(23)18(11-22(13)2)25-12-19(24)20-8-7-14-10-21-16-6-4-3-5-15(14)16/h3-6,9-11,21H,7-8,12H2,1-2H3,(H,20,24)
• InChIKey: NWQYVIIAFRBHJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-[(1,6-dimethyl-4-oxopyridin-3-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164282023
• PubChem CID: 71692090

CALCULATED PROPERTIES

• Acid pKa: 15.311079
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7314879
• LogD (pH = 7.4): 1.7314883
• Log P: 1.7314885
• Molar Refractivity: 98.7064 cm^3
• Polarizability: 37.681908 Å^3
• Polar Surface Area: 74.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds