2-(1-methyl-1H-indol-3-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

• ChemBase ID: 728790
• Molecular Formular: C21H24N4O
• Molecular Mass: 348.44146
• Monoisotopic Mass: 348.19501141
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: O=C(Cc1cn(c2c1cccc2)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C21H24N4O/c1-14-19(17-7-8-22-10-16(17)11-23-14)12-24-21(26)9-15-13-25(2)20-6-4-3-5-18(15)20/h3-6,11,13,22H,7-10,12H2,1-2H3,(H,24,26)
• InChIKey: ZQAFWRIVSIEMOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-indol-3-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide
• Synonyms: 2-(1-methyl-1H-indol-3-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.550646
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4422766
• LogD (pH = 7.4): 0.08996081
• Log P: 1.5865738
• Molar Refractivity: 103.6725 cm^3
• Polarizability: 40.748302 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.84
• LOG S: -1.16
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 4