8-[(2-aminopyridin-3-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

• ChemBase ID: 459550
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: C1(=O)N(CC2(O1)CCN(Cc1c(nccc1)N)CCC2)C
• Canonical SMILES: CN1CC2(OC1=O)CCCN(CC2)Cc1cccnc1N
• InChI: InChI=1S/C15H22N4O2/c1-18-11-15(21-14(18)20)5-3-8-19(9-6-15)10-12-4-2-7-17-13(12)16/h2,4,7H,3,5-6,8-11H2,1H3,(H2,16,17)
• InChIKey: IIJDVPWREHGHAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2-aminopyridin-3-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• IUPAC Traditional name: 8-[(2-aminopyridin-3-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• Synonyms: 8-[(2-amino-3-pyridinyl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2791922
• LogD (pH = 7.4): -0.47669342
• Log P: 0.6050998
• Molar Refractivity: 81.3688 cm^3
• Polarizability: 30.963512 Å^3
• Polar Surface Area: 71.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.49
• LOG S: -0.73
• Polar Surface Area: 71.69 Å^2
• Rotatable Bonds: 2