187163-71-9 (2-tert-butoxycarbonylamino-5-cyano-6-methylpyridine,tert-Butyl 5-cyano-6-methylpyridin-2-ylcarbamate)

CAS号:
187163-71-9
中文名称:
2-tert-butoxycarbonylamino-5-cyano-6-methylpyridine
英文名称:
tert-Butyl 5-cyano-6-methylpyridin-2-ylcarbamate
分子式:
C12H15N3O2
分子量:
233.266402482986

2-tert-butoxycarbonylamino-5-cyano-6-methylpyridine(187163-71-9)名称与标识符

名称

中文别名:
2-tert-butoxycarbonylamino-5-cyano-6-methylpyridine;
英文别名:
tert-Butyl 5-cyano-6-methylpyridin-2-ylcarbamate;tert-butyl N-(5-cyano-6-methylpyridin-2-yl)carbamate;SBB055721;2-t-butoxycarbonylamino-5-cyano-6-methylpyridine;2-tert-butoxycarbonylamino-5-cyano-6-methylpyridine;2-methyl-3-cyano-6-tert-Butoxycarbonylamino-pyridine;(tert-butoxy)-N-(5-cyano-6-methyl(2-pyridyl))carboxamide;(5-Cyano-6-methylpyridin-2-yl)carbamic acid tert-butyl ester;N-(5-Cyano-6-methylpyridine-2-yl);

标识符

MDL:
MFCD08274698
InChIKey:
YQXDVAWQTLDPFF-UHFFFAOYSA-N
Inchi:
1S/C12H15N3O2/c1-8-9(7-13)5-6-10(14-8)15-11(16)17-12(2,3)4/h5-6H,1-4H3,(H,14,15,16)
SMILES:
O(C(NC1C=CC(C#N)=C(C)N=1)=O)C(C)(C)C

2-tert-butoxycarbonylamino-5-cyano-6-methylpyridine(187163-71-9)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 重原子数量 : 17
  • 复杂度 : 326
  • 疏水参数计算参考值(XlogP) : 1.9
  • 拓扑分子极性表面积 : 75

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