2-methyl-N-[(4-methylpyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 518999
• Molecular Formular: C17H26N4O
• Molecular Mass: 302.41454
• Monoisotopic Mass: 302.21066147
• SMILES: N1(C(C(=O)NCc2nccc(c2)C)CC2(C1)CCNCC2)C
• Canonical SMILES: CN1CC2(CC1C(=O)NCc1nccc(c1)C)CCNCC2
• InChI: InChI=1S/C17H26N4O/c1-13-3-6-19-14(9-13)11-20-16(22)15-10-17(12-21(15)2)4-7-18-8-5-17/h3,6,9,15,18H,4-5,7-8,10-12H2,1-2H3,(H,20,22)
• InChIKey: IPKRHSCBVITLHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.853932
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.4314275
• LogD (pH = 7.4): -3.129856
• Log P: 0.40736338
• Molar Refractivity: 87.1525 cm^3
• Polarizability: 34.25125 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.16
• LOG S: -1.28
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 3