6-[ethyl(methyl)amino]-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyridine-3-carboxamide

• ChemBase ID: 853578
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: n1c(onc1CNC(=O)c1cnc(N(CC)C)cc1)C(C)C
• Canonical SMILES: CCN(c1ccc(cn1)C(=O)NCc1noc(n1)C(C)C)C
• InChI: InChI=1S/C15H21N5O2/c1-5-20(4)13-7-6-11(8-16-13)14(21)17-9-12-18-15(10(2)3)22-19-12/h6-8,10H,5,9H2,1-4H3,(H,17,21)
• InChIKey: CGZJIKWEHHYJFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[ethyl(methyl)amino]-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyridine-3-carboxamide
• IUPAC Traditional name: 6-[ethyl(methyl)amino]-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
• Synonyms: 6-[ethyl(methyl)amino]-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.200006
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2441642
• LogD (pH = 7.4): 2.3401706
• Log P: 2.3415504
• Molar Refractivity: 85.7484 cm^3
• Polarizability: 30.961273 Å^3
• Polar Surface Area: 84.15 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: 1.87
• LOG S: -4.21
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 4