2-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

Systemtic Name: 2-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide Openeye Name: 2-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide CAS Name: 2-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-[3-(trifluoromethyl)phenyl]-4-pyridinecarboxamide IUPAC Name: 2-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide Traditional Name: 2-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]isonicotinamide Formula: C19H12F3N5O MolecularWeight: 383.32669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=NC=C2)C#CC3=CN=C(N=C3)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=NC=C2)C#CC3=CN=C(N=C3)N)C(F)(F)F

InChI

InChI=1S/C19H12F3N5O/c20-19(21,22)14-2-1-3-16(9-14)27-17(28)13-6-7-24-15(8-13)5-4-12-10-25-18(23)26-11-12/h1-3,6-11H,(H,27,28)(H2,23,25,26)