To reduce the sensitivity of explosives while maintaining the high energetic characteristics, a kind of new molecule explosive with low sensitivity and high energy is required. In this paper, the insensitive property of explosives containing pyridine rings is combined with the high energy of nitramine explosives, and the concept of new nitramine explosive containing pyridine ring is proposed, into which the nitramine group with N—N bonds is introduced as much as possible. Based on the research of regular relationship between molecular as well as crystal structure and explosive property as well as security performance, the molecular structures of several target compounds and their synthetic method are designed. Then synthetic routes are obtained with different synthetic reactions such as condensation, N-nitration, N-oxidation and C-nitration and so on.