2-(dimethylamino)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

• ChemBase ID: 843126
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(C(=O)NCc2c3c(cnc2C)CNCC3)c(N(C)C)cccc1
• Canonical SMILES: Cc1ncc2c(c1CNC(=O)c1ccccc1N(C)C)CCNC2
• InChI: InChI=1S/C19H24N4O/c1-13-17(15-8-9-20-10-14(15)11-21-13)12-22-19(24)16-6-4-5-7-18(16)23(2)3/h4-7,11,20H,8-10,12H2,1-3H3,(H,22,24)
• InChIKey: GLVPXSWDIHMCGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.259542
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6371808
• LogD (pH = 7.4): -0.10459086
• Log P: 1.3920143
• Molar Refractivity: 98.0665 cm^3
• Polarizability: 36.521866 Å^3
• Polar Surface Area: 57.26 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: 1.02
• LOG S: -1.14
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 4