N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 540210
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: C(=O)(C1N(CC2(C1)CCNCC2)C)N(Cc1c(c(c(cn1)C)OC)C)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN(C(=O)C1CC2(CN1C)CCNCC2)C
• InChI: InChI=1S/C20H32N4O2/c1-14-11-22-16(15(2)18(14)26-5)12-23(3)19(25)17-10-20(13-24(17)4)6-8-21-9-7-20/h11,17,21H,6-10,12-13H2,1-5H3
• InChIKey: FHBDAWRIDCOMFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): -2.7364948
• Log P: 0.9867896
• Molar Refractivity: 103.5536 cm^3
• Polarizability: 40.37661 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -5.702176

供应商提供(Chembridge)

• Log P: 0.86
• LOG S: -2.56
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 1