N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(methylamino)-N-(propan-2-yl)pyridine-4-carboxamide

• ChemBase ID: 602360
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: n1c(noc1C)CN(C(=O)c1cc(ncc1)NC)C(C)C
• Canonical SMILES: CNc1nccc(c1)C(=O)N(C(C)C)Cc1noc(n1)C
• InChI: InChI=1S/C14H19N5O2/c1-9(2)19(8-13-17-10(3)21-18-13)14(20)11-5-6-16-12(7-11)15-4/h5-7,9H,8H2,1-4H3,(H,15,16)
• InChIKey: QCRUQACATNTFGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(methylamino)-N-(propan-2-yl)pyridine-4-carboxamide
• IUPAC Traditional name: N-isopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
• Synonyms: N-isopropyl-2-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0697452
• LogD (pH = 7.4): 1.1550003
• Log P: 1.1562089
• Molar Refractivity: 81.6277 cm^3
• Polarizability: 29.131235 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.44
• LOG S: -1.69
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 5