2-(pyridin-2-ylmethyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 507819
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: C12(C(=O)N(Cc3cnccc3)CCC2)CN(Cc2ncccc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1ccccn1)Cc1cccnc1
• InChI: InChI=1S/C20H24N4O/c25-19-20(7-4-11-24(19)14-17-5-3-9-21-13-17)8-12-23(16-20)15-18-6-1-2-10-22-18/h1-3,5-6,9-10,13H,4,7-8,11-12,14-16H2
• InChIKey: ADCIAVZGXOQWCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-ylmethyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(pyridin-2-ylmethyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2-pyridinylmethyl)-7-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5978158
• LogD (pH = 7.4): 0.23284975
• Log P: 1.2371517
• Molar Refractivity: 96.9902 cm^3
• Polarizability: 37.8138 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.6
• LOG S: -1.64
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4