N-[(5-methylpyrazin-2-yl)methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase ID: 556610
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: c1(C(=O)NCc2ncc(nc2)C)cc(oc1)CN1CCOCC1
• Canonical SMILES: Cc1cnc(cn1)CNC(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C16H20N4O3/c1-12-7-18-14(8-17-12)9-19-16(21)13-6-15(23-11-13)10-20-2-4-22-5-3-20/h6-8,11H,2-5,9-10H2,1H3,(H,19,21)
• InChIKey: SHVQGLDNEVBCQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyrazin-2-yl)methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: N-[(5-methylpyrazin-2-yl)methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• Synonyms: N-[(5-methyl-2-pyrazinyl)methyl]-5-(4-morpholinylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.731679
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.99826205
• LogD (pH = 7.4): -0.6735292
• Log P: -0.66732454
• Molar Refractivity: 84.4093 cm^3
• Polarizability: 32.17524 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.77
• LOG S: -2.16
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5