N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 741189
• Molecular Formular: C18H26N4O
• Molecular Mass: 314.42524
• Monoisotopic Mass: 314.21066147
• SMILES: C12(C(C1)C(=O)NCc1c3c(cnc1C)CNCC3)CCNCC2
• Canonical SMILES: O=C(C1CC21CCNCC2)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H26N4O/c1-12-15(14-2-5-20-9-13(14)10-21-12)11-22-17(23)16-8-18(16)3-6-19-7-4-18/h10,16,19-20H,2-9,11H2,1H3,(H,22,23)
• InChIKey: SDKLIFTUWBZFHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.490747
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -6.5922346
• LogD (pH = 7.4): -4.3740826
• Log P: -0.34328586
• Molar Refractivity: 90.6205 cm^3
• Polarizability: 35.28063 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.77
• LOG S: -0.84
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 3