6-[[2-cyano-1-ethanoyl-2-(ethylamino)-4-fluoranyl-pyrrolidin-3-yl]amino]pyridine-3-carboxamide dihydrochloride

Systemtic Name: 6-[[2-cyano-1-ethanoyl-2-(ethylamino)-4-fluoranyl-pyrrolidin-3-yl]amino]pyridine-3-carboxamide dihydrochloride Openeye Name: 6-[[1-acetyl-2-cyano-2-(ethylamino)-4-fluoro-pyrrolidin-3-yl]amino]pyridine-3-carboxamide dihydrochloride CAS Name: 6-[[1-acetyl-2-cyano-2-(ethylamino)-4-fluoro-3-pyrrolidinyl]amino]-3-pyridinecarboxamide dihydrochloride IUPAC Name: 6-[[1-acetyl-2-cyano-2-(ethylamino)-4-fluoropyrrolidin-3-yl]amino]pyridine-3-carboxamide dihydrochloride Traditional Name: 6-[[1-acetyl-2-cyano-2-(ethylamino)-4-fluoro-pyrrolidin-3-yl]amino]nicotinamide dihydrochloride Formula: C15H21Cl2FN6O2 MolecularWeight: 407.270643

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(C(C(CN1C(=O)C)F)NC2=NC=C(C=C2)C(=O)N)C#N.Cl.Cl

Isomeric SMILES

CCNC1(C(C(CN1C(=O)C)F)NC2=NC=C(C=C2)C(=O)N)C#N.Cl.Cl

InChI

InChI=1S/C15H19FN6O2.2ClH/c1-3-20-15(8-17)13(11(16)7-22(15)9(2)23)21-12-5-4-10(6-19-12)14(18)24;;/h4-6,11,13,20H,3,7H2,1-2H3,(H2,18,24)(H,19,21);2*1H