8-(6-aminopyridine-3-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 442604
• Molecular Formular: C23H28N4O2
• Molecular Mass: 392.49402
• Monoisotopic Mass: 392.22122616
• SMILES: C(=O)(N1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1)c1cnc(cc1)N
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)C(=O)c1ccc(nc1)N
• InChI: InChI=1S/C23H28N4O2/c24-20-9-8-19(16-25-20)22(29)26-13-10-23(11-14-26)15-21(28)27(17-23)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,16H,4,7,10-15,17H2,(H2,24,25)
• InChIKey: KLLWFLFSMOSBNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-aminopyridine-3-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(6-aminopyridine-3-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(6-aminopyridin-3-yl)carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5318865
• LogD (pH = 7.4): 1.7138318
• Log P: 1.7167751
• Molar Refractivity: 114.3165 cm^3
• Polarizability: 43.005276 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.28
• LOG S: -4.01
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 5