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

• ChemBase ID: 823406
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: c1(C(=O)NC(C2CC2)c2nccc(c2)C)cc(oc1)CN1CCOCC1
• Canonical SMILES: Cc1ccnc(c1)C(C1CC1)NC(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C20H25N3O3/c1-14-4-5-21-18(10-14)19(15-2-3-15)22-20(24)16-11-17(26-13-16)12-23-6-8-25-9-7-23/h4-5,10-11,13,15,19H,2-3,6-9,12H2,1H3,(H,22,24)
• InChIKey: HHPCWTKUUGCSCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.881693
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.518285
• LogD (pH = 7.4): 1.9176824
• Log P: 1.9249327
• Molar Refractivity: 98.7032 cm^3
• Polarizability: 37.828392 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.95
• LOG S: -1.3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 6