(piperidin-4-ylcarbonylamino) 2,2,2-tris(fluoranyl)ethanoate; pyridine-3-carboxamide

Systemtic Name: (piperidin-4-ylcarbonylamino) 2,2,2-tris(fluoranyl)ethanoate; pyridine-3-carboxamide Openeye Name: (piperidine-4-carbonylamino) 2,2,2-trifluoroacetate; pyridine-3-carboxamide CAS Name: 3-pyridinecarboxamide; 2,2,2-trifluoroacetic acid [[oxo(4-piperidinyl)methyl]amino] ester IUPAC Name: (piperidine-4-carbonylamino) 2,2,2-trifluoroacetate; pyridine-3-carboxamide Traditional Name: nicotinamide; 2,2,2-trifluoroacetic acid (isonipecotoylamino) ester Formula: C14H17F3N4O4 MolecularWeight: 362.30439

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NOC(=O)C(F)(F)F.C1=CC(=CN=C1)C(=O)N

Isomeric SMILES

C1CNCCC1C(=O)NOC(=O)C(F)(F)F.C1=CC(=CN=C1)C(=O)N

InChI

InChI=1S/C8H11F3N2O3.C6H6N2O/c9-8(10,11)7(15)16-13-6(14)5-1-3-12-4-2-5;7-6(9)5-2-1-3-8-4-5/h5,12H,1-4H2,(H,13,14);1-4H,(H2,7,9)