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

• ChemBase ID: 360357
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(cn(c2c1cccc2)C)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: O=C(c1cn(c2c1cccc2)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C20H22N4O/c1-13-17(15-7-8-21-9-14(15)10-22-13)11-23-20(25)18-12-24(2)19-6-4-3-5-16(18)19/h3-6,10,12,21H,7-9,11H2,1-2H3,(H,23,25)
• InChIKey: NJVPAKMCZSFQCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.273746
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4224347
• LogD (pH = 7.4): 0.10980777
• Log P: 1.6064085
• Molar Refractivity: 99.6211 cm^3
• Polarizability: 38.690086 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.42
• LOG S: -1.55
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 3