2-[(2-aminopyridin-3-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 788015
• Molecular Formular: C17H26N4O2
• Molecular Mass: 318.41394
• Monoisotopic Mass: 318.20557609
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(Cc2c(nccc2)N)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)Cc1cccnc1N
• InChI: InChI=1S/C17H26N4O2/c1-23-11-10-21-8-3-5-17(16(21)22)6-9-20(13-17)12-14-4-2-7-19-15(14)18/h2,4,7H,3,5-6,8-13H2,1H3,(H2,18,19)
• InChIKey: OTSITONJSFSUKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-aminopyridin-3-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(2-aminopyridin-3-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-aminopyridin-3-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.8846297
• LogD (pH = 7.4): -1.2471551
• Log P: 0.36743528
• Molar Refractivity: 91.1141 cm^3
• Polarizability: 34.639835 Å^3
• Polar Surface Area: 71.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.28
• LOG S: -3.07
• Polar Surface Area: 71.69 Å^2
• Rotatable Bonds: 5