8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 466479
• Molecular Formular: C21H24N4O3
• Molecular Mass: 380.44026
• Monoisotopic Mass: 380.18484065
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1cnc(cc1)N)CC2)CCc1ccccc1
• Canonical SMILES: O=C1OC2(CN1CCc1ccccc1)CCN(CC2)C(=O)c1ccc(nc1)N
• InChI: InChI=1S/C21H24N4O3/c22-18-7-6-17(14-23-18)19(26)24-12-9-21(10-13-24)15-25(20(27)28-21)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H2,22,23)
• InChIKey: SKYLEFJHHWVPKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(6-aminopyridin-3-yl)carbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2725929
• LogD (pH = 7.4): 1.4545242
• Log P: 1.4574671
• Molar Refractivity: 106.4209 cm^3
• Polarizability: 40.031273 Å^3
• Polar Surface Area: 88.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.12
• LOG S: -3.78
• Polar Surface Area: 88.76 Å^2
• Rotatable Bonds: 4