2-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide

• ChemBase ID: 532103
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: c1(N2CC3(CN(CCCc4ccccc4)CCC3)CC2)c(C(=O)N)cccn1
• Canonical SMILES: NC(=O)c1cccnc1N1CCC2(C1)CCCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C23H30N4O/c24-21(28)20-10-4-13-25-22(20)27-16-12-23(18-27)11-6-15-26(17-23)14-5-9-19-7-2-1-3-8-19/h1-4,7-8,10,13H,5-6,9,11-12,14-18H2,(H2,24,28)
• InChIKey: PYGZVBXCVHSKFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
• IUPAC Traditional name: 2-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
• Synonyms: 2-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]dec-2-yl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.747152
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14112057
• LogD (pH = 7.4): 1.3035235
• Log P: 3.3142004
• Molar Refractivity: 114.4718 cm^3
• Polarizability: 43.25459 Å^3
• Polar Surface Area: 62.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.19
• LOG S: -4.68
• Polar Surface Area: 62.46 Å^2
• Rotatable Bonds: 6