2-(pyrimidin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-(pyrimidin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-(pyrimidin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-(4-pyrimidinylmethylamino)-N-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(pyrimidin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(4-pyrimidylmethylamino)-N-[3-(trifluoromethyl)phenyl]nicotinamide Formula: C18H14F3N5O MolecularWeight: 373.33187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)NCC3=NC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)NCC3=NC=NC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N5O/c19-18(20,21)12-3-1-4-13(9-12)26-17(27)15-5-2-7-23-16(15)24-10-14-6-8-22-11-25-14/h1-9,11H,10H2,(H,23,24)(H,26,27)