8-(2-aminopyridine-4-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 443999
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1cc(ncc1)N)CC2)CCCCCC
• Canonical SMILES: CCCCCCN1CC2(OC1=O)CCN(CC2)C(=O)c1ccnc(c1)N
• InChI: InChI=1S/C19H28N4O3/c1-2-3-4-5-10-23-14-19(26-18(23)25)7-11-22(12-8-19)17(24)15-6-9-21-16(20)13-15/h6,9,13H,2-5,7-8,10-12,14H2,1H3,(H2,20,21)
• InChIKey: YGYUXXVOHVCWTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-aminopyridine-4-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-aminopyridine-4-carbonyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2-aminoisonicotinoyl)-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5357981
• LogD (pH = 7.4): 1.6555876
• Log P: 1.6573691
• Molar Refractivity: 100.1289 cm^3
• Polarizability: 37.818954 Å^3
• Polar Surface Area: 88.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.27
• LOG S: -3.77
• Polar Surface Area: 88.76 Å^2
• Rotatable Bonds: 6