N-methyl-N-(1-methylpyrrolidin-3-yl)-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 584390
• Molecular Formular: C22H27N5O
• Molecular Mass: 377.48268
• Monoisotopic Mass: 377.22156051
• SMILES: n1c(onc1CCCc1ccccc1)c1cnc(N(C2CN(CC2)C)C)cc1
• Canonical SMILES: CN1CCC(C1)N(c1ccc(cn1)c1onc(n1)CCCc1ccccc1)C
• InChI: InChI=1S/C22H27N5O/c1-26-14-13-19(16-26)27(2)21-12-11-18(15-23-21)22-24-20(25-28-22)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16H2,1-2H3
• InChIKey: SXBKBIFLBKRQCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1-methylpyrrolidin-3-yl)-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-N-(1-methylpyrrolidin-3-yl)-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: N-methyl-N-(1-methyl-3-pyrrolidinyl)-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6268154
• LogD (pH = 7.4): 3.4088933
• Log P: 4.559695
• Molar Refractivity: 123.4949 cm^3
• Polarizability: 42.77307 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.96
• LOG S: -4.71
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 7