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

• ChemBase ID: 226128
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: c12ccn(c1cccc2NC(=O)COc1cn(c(cc1=O)C)C)C
• Canonical SMILES: O=C(Nc1cccc2c1ccn2C)COc1cn(C)c(cc1=O)C
• InChI: InChI=1S/C18H19N3O3/c1-12-9-16(22)17(10-21(12)3)24-11-18(23)19-14-5-4-6-15-13(14)7-8-20(15)2/h4-10H,11H2,1-3H3,(H,19,23)
• InChIKey: GZAYKBJARIRMIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282038
• PubChem CID: 71692101

CALCULATED PROPERTIES

• Acid pKa: 12.134668
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.959598
• LogD (pH = 7.4): 1.9595909
• Log P: 1.9595987
• Molar Refractivity: 95.7939 cm^3
• Polarizability: 35.74985 Å^3
• Polar Surface Area: 63.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds