N-heterocycles represent a predominant and unique class of organic chemistry. They
have received a lot of attention due to their important chemical, biomedical, and industrial uses.
Food and Drug Administration (FDA) approved about 75% of drugs containing N-based heterocycles,
which are currently available in the market. N-Heterocyclic compounds exist as the backbone
of numerous natural products and act as crucial intermediates for the construction of pharmaceuticals,
veterinary items, and agrochemicals frequently. Among N-based heterocyclic compounds,
bioactive N,N-heterocycles constitute a broad spectrum of applications in modern drug discovery
and development processes. Cefozopran (antibiotic), omeprazole (antiulcer), enviradine (antiviral),
liarozole (anticancer), etc., are important drugs containing N,N-heterocycles. The synthesis of N,Nheterocyclic
compounds under sustainable conditions is one of the most active fields because of
their significant physiological and biological properties as well as synthetic utility. Current research
is demanding the development of greener, cheaper, and milder protocols for the synthesis of
N,N-heterocyclic compounds to save mother nature by avoiding toxic metal catalysts, extensive
application of energy, and the excessive use of hazardous materials. Nanocatalysts play a profound
role in sustainable synthesis because of their larger surface area, tiny size, and minimum energy;
they are eco-friendly and safe, and they provide higher yields with selectivity in comparison to
conventional catalysts. It is increasingly demanding research to design and synthesize novel bioactive
compounds that may help to combat cancer since the major causes of death worldwide are due
to cancer. Hence, the important uses of nanocatalysts for the one-pot synthesis of biologically potent
N,N-heterocycles with anticancer activities have been presented in this review.