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

• ChemBase ID: 634889
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: c1(c2[nH]ccc2ccc1)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1CNC(=O)c1cccc3c1[nH]cc3)CCNC2
• InChI: InChI=1S/C19H20N4O/c1-12-17(15-6-7-20-9-14(15)10-22-12)11-23-19(24)16-4-2-3-13-5-8-21-18(13)16/h2-5,8,10,20-21H,6-7,9,11H2,1H3,(H,23,24)
• InChIKey: ILAYEAYUCNBOOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.856655
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.6461108
• LogD (pH = 7.4): -0.11386831
• Log P: 1.3827324
• Molar Refractivity: 94.7244 cm^3
• Polarizability: 36.924465 Å^3
• Polar Surface Area: 69.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.03
• LOG S: -1.12
• Polar Surface Area: 69.81 Å^2
• Rotatable Bonds: 3