N-methyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 586928
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: n1c(noc1CN(C(=O)C1NCC2(C1)CCNCC2)C)c1ncccc1
• Canonical SMILES: O=C(N(Cc1onc(n1)c1ccccn1)C)C1NCC2(C1)CCNCC2
• InChI: InChI=1S/C18H24N6O2/c1-24(11-15-22-16(23-26-15)13-4-2-3-7-20-13)17(25)14-10-18(12-21-14)5-8-19-9-6-18/h2-4,7,14,19,21H,5-6,8-12H2,1H3
• InChIKey: XBFJVLAISIAZBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-methyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-methyl-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -6.2922955
• LogD (pH = 7.4): -4.8440814
• Log P: 0.39161062
• Molar Refractivity: 107.2177 cm^3
• Polarizability: 37.901577 Å^3
• Polar Surface Area: 96.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -0.18
• LOG S: -2.96
• Polar Surface Area: 96.18 Å^2
• Rotatable Bonds: 4