2-methoxy-4-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}pyridine-3-carbonitrile

• ChemBase ID: 381111
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: C12(C(=O)N(CCC2)CCC)CN(c2c(c(ncc2)OC)C#N)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)c1ccnc(c1C#N)OC
• InChI: InChI=1S/C18H24N4O2/c1-3-9-21-10-4-6-18(17(21)23)7-11-22(13-18)15-5-8-20-16(24-2)14(15)12-19/h5,8H,3-4,6-7,9-11,13H2,1-2H3
• InChIKey: RMMIPMMFGJEVPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}pyridine-3-carbonitrile
• IUPAC Traditional name: 2-methoxy-4-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}pyridine-3-carbonitrile
• Synonyms: 2-methoxy-4-(6-oxo-7-propyl-2,7-diazaspiro[4.5]dec-2-yl)nicotinonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9857137
• LogD (pH = 7.4): 1.9877136
• Log P: 1.9877391
• Molar Refractivity: 92.7135 cm^3
• Polarizability: 34.943787 Å^3
• Polar Surface Area: 69.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -4.17
• Polar Surface Area: 69.46 Å^2
• Rotatable Bonds: 4