Nilotinib
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
Molecular Identity
Nilotinib
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID: 644241
Nilotinib is a secondary carboxamide, a member of imidazoles, a member of pyridines, a member of pyrimidines, a secondary amino compound and a member of (trifluoromethyl)benzenes. It has a role as an anticoronaviral agent, an antineoplastic agent and a tyrosine kinase inhibitor.
2D Structure
Properties
C28H22F3N7O
Molecular Formula
529.50
Molecular Weight
g/mol
529.1838
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
97.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
817
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Nilotinib641571-10-0AMN 107AMN-107nilotinibum4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamideDanzitenNSC-7475994-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamideDTXSID5042663F41401512XCHEBI:521724-Methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamideBenzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nilotinib
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