5-ethyl-N-[1-(pyrazin-2-yl)propan-2-yl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

• ChemBase ID: 402695
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(cc(oc1CC)C(=O)NC(Cc1nccnc1)C)CN1CCCC1
• Canonical SMILES: CCc1oc(cc1CN1CCCC1)C(=O)NC(Cc1cnccn1)C
• InChI: InChI=1S/C19H26N4O2/c1-3-17-15(13-23-8-4-5-9-23)11-18(25-17)19(24)22-14(2)10-16-12-20-6-7-21-16/h6-7,11-12,14H,3-5,8-10,13H2,1-2H3,(H,22,24)
• InChIKey: BDZLCZPFKKKDEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[1-(pyrazin-2-yl)propan-2-yl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: 5-ethyl-N-[1-(pyrazin-2-yl)propan-2-yl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• Synonyms: 5-ethyl-N-(1-methyl-2-pyrazin-2-ylethyl)-4-(pyrrolidin-1-ylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.36321
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3816556
• LogD (pH = 7.4): 0.39142096
• Log P: 1.2012746
• Molar Refractivity: 97.0762 cm^3
• Polarizability: 36.97064 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.44
• LOG S: -2.92
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7