3-(1H-indol-3-yl)-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]propanamide

• ChemBase ID: 523877
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: n1(c(=O)cccc1C)CCCNC(=O)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(CCc1c[nH]c2c1cccc2)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C20H23N3O2/c1-15-6-4-9-20(25)23(15)13-5-12-21-19(24)11-10-16-14-22-18-8-3-2-7-17(16)18/h2-4,6-9,14,22H,5,10-13H2,1H3,(H,21,24)
• InChIKey: VWAHOUYRVNHNRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-indol-3-yl)-N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]propanamide
• IUPAC Traditional name: 3-(1H-indol-3-yl)-N-[3-(2-methyl-6-oxopyridin-1-yl)propyl]propanamide
• Synonyms: 3-(1H-indol-3-yl)-N-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.788727
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9021037
• LogD (pH = 7.4): 1.9021037
• Log P: 1.9021037
• Molar Refractivity: 101.4295 cm^3
• Polarizability: 38.847527 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.67
• LOG S: -3.09
• Polar Surface Area: 66.89 Å^2
• Rotatable Bonds: 7