8-(2-aminopyridine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 611334
• Molecular Formular: C23H28N4O2
• Molecular Mass: 392.49402
• Monoisotopic Mass: 392.22122616
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)c1cc(ncc1)N)CC2)CCCc1ccccc1
• Canonical SMILES: Nc1nccc(c1)C(=O)N1CCC2(CC1)CN(C(=O)C2)CCCc1ccccc1
• InChI: InChI=1S/C23H28N4O2/c24-20-15-19(8-11-25-20)22(29)26-13-9-23(10-14-26)16-21(28)27(17-23)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,11,15H,4,7,9-10,12-14,16-17H2,(H2,24,25)
• InChIKey: PMZWHVZCXRCXHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-aminopyridine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2-aminopyridine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(2-aminoisonicotinoyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5951337
• LogD (pH = 7.4): 1.7149923
• Log P: 1.7167751
• Molar Refractivity: 114.3165 cm^3
• Polarizability: 43.00564 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: 1.97
• LOG S: -3.74
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 5