7-[(2-aminopyridin-3-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 698727
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: C1(=O)N(CC2(O1)CN(Cc1c(nccc1)N)CCC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)Cc1cccnc1N
• InChI: InChI=1S/C14H20N4O2/c1-17-9-14(20-13(17)19)5-3-7-18(10-14)8-11-4-2-6-16-12(11)15/h2,4,6H,3,5,7-10H2,1H3,(H2,15,16)
• InChIKey: KWXCXTSSPOUOMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-aminopyridin-3-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-[(2-aminopyridin-3-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-[(2-amino-3-pyridinyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7853049
• LogD (pH = 7.4): -0.0127515495
• Log P: 0.54514
• Molar Refractivity: 76.5034 cm^3
• Polarizability: 29.126791 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: 0.28
• LOG S: -1.76
• Polar Surface Area: 71.69 Å^2
• Rotatable Bonds: 2