N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 466510
• Molecular Formular: C21H23ClN4O2
• Molecular Mass: 398.88592
• Monoisotopic Mass: 398.15095368
• SMILES: C12(C(=O)N(Cc3cnccc3)CCC2)CN(C(=O)Nc2c(Cl)cccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)Cc1cccnc1)Nc1ccccc1Cl
• InChI: InChI=1S/C21H23ClN4O2/c22-17-6-1-2-7-18(17)24-20(28)26-12-9-21(15-26)8-4-11-25(19(21)27)14-16-5-3-10-23-13-16/h1-3,5-7,10,13H,4,8-9,11-12,14-15H2,(H,24,28)
• InChIKey: FSUMAKXYDJVGER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-(2-chlorophenyl)-6-oxo-7-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.065173
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3152425
• LogD (pH = 7.4): 2.3864987
• Log P: 2.3875172
• Molar Refractivity: 109.2645 cm^3
• Polarizability: 41.417606 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.64
• LOG S: -2.21
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 3