N-[3-(furan-2-yl)propyl]-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 818584
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: N1(C(C(=O)NCCCc2occc2)c2cnccc2)CCCC1
• Canonical SMILES: O=C(C(c1cccnc1)N1CCCC1)NCCCc1ccco1
• InChI: InChI=1S/C18H23N3O2/c22-18(20-10-4-7-16-8-5-13-23-16)17(21-11-1-2-12-21)15-6-3-9-19-14-15/h3,5-6,8-9,13-14,17H,1-2,4,7,10-12H2,(H,20,22)
• InChIKey: HUDBVNSDCOTWIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-[3-(2-furyl)propyl]-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.858846
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2261463
• LogD (pH = 7.4): 1.3180057
• Log P: 1.5714829
• Molar Refractivity: 89.0471 cm^3
• Polarizability: 34.461067 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.88
• LOG S: -1.79
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 7