N,1-dimethyl-6-oxo-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,6-dihydropyridine-3-carboxamide

• ChemBase ID: 864614
• Molecular Formular: C16H15N5O3
• Molecular Mass: 325.322
• Monoisotopic Mass: 325.11748937
• SMILES: c1(C(=O)N(Cc2nc(no2)c2ncccc2)C)cn(c(=O)cc1)C
• Canonical SMILES: CN(C(=O)c1ccc(=O)n(c1)C)Cc1onc(n1)c1ccccn1
• InChI: InChI=1S/C16H15N5O3/c1-20-9-11(6-7-14(20)22)16(23)21(2)10-13-18-15(19-24-13)12-5-3-4-8-17-12/h3-9H,10H2,1-2H3
• InChIKey: ZTNBBPKLPPMBKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-6-oxo-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,6-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N,1-dimethyl-6-oxo-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}pyridine-3-carboxamide
• Synonyms: N,1-dimethyl-6-oxo-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-1,6-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7752435
• LogD (pH = 7.4): 0.7752441
• Log P: 0.7752441
• Molar Refractivity: 97.9947 cm^3
• Polarizability: 32.652447 Å^3
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.57
• LOG S: -2.4
• Polar Surface Area: 94.12 Å^2
• Rotatable Bonds: 4