2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 227304
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: c1(cn(c(cc1=O)C)C)OCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)COc1cn(C)c(cc1=O)C)c[nH]2
• InChI: InChI=1S/C20H23N3O4/c1-13-8-18(24)19(11-23(13)2)27-12-20(25)21-7-6-14-10-22-17-5-4-15(26-3)9-16(14)17/h4-5,8-11,22H,6-7,12H2,1-3H3,(H,21,25)
• InChIKey: APAOQAQSZQVMBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-[(1,6-dimethyl-4-oxopyridin-3-yl)oxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164283214
• PubChem CID: 71754433

CALCULATED PROPERTIES

• Acid pKa: 15.177033
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5738167
• LogD (pH = 7.4): 1.5738171
• Log P: 1.5738171
• Molar Refractivity: 105.1696 cm^3
• Polarizability: 40.197983 Å^3
• Polar Surface Area: 83.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds