4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl](methyl)amino}-N-(furan-3-ylmethyl)pyridine-2-carboxamide

• ChemBase ID: 829475
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(c(n(nc1)CC)C)CN(c1cc(C(=O)NCc2cocc2)ncc1)C
• Canonical SMILES: CCn1ncc(c1C)CN(c1ccnc(c1)C(=O)NCc1cocc1)C
• InChI: InChI=1S/C19H23N5O2/c1-4-24-14(2)16(11-22-24)12-23(3)17-5-7-20-18(9-17)19(25)21-10-15-6-8-26-13-15/h5-9,11,13H,4,10,12H2,1-3H3,(H,21,25)
• InChIKey: MEZMOIPQDCFBGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl](methyl)amino}-N-(furan-3-ylmethyl)pyridine-2-carboxamide
• IUPAC Traditional name: 4-{[(1-ethyl-5-methylpyrazol-4-yl)methyl](methyl)amino}-N-(furan-3-ylmethyl)pyridine-2-carboxamide
• Synonyms: 4-[[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]-N-(3-furylmethyl)-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.44238
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8345567
• LogD (pH = 7.4): 1.8963513
• Log P: 1.897205
• Molar Refractivity: 112.4731 cm^3
• Polarizability: 37.16409 Å^3
• Polar Surface Area: 76.19 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: 2.57
• LOG S: -3.97
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 7