N-(5-chloranylpyrimidin-2-yl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]pyridine-3-carboxamide dihydrochloride

Systemtic Name: N-(5-chloranylpyrimidin-2-yl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]pyridine-3-carboxamide dihydrochloride Openeye Name: N-(5-chloropyrimidin-2-yl)-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]pyridine-3-carboxamide dihydrochloride CAS Name: N-(5-chloro-2-pyrimidinyl)-2-[(1-pyridin-4-yl-4-piperidinyl)methylamino]-3-pyridinecarboxamide dihydrochloride IUPAC Name: N-(5-chloropyrimidin-2-yl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]pyridine-3-carboxamide dihydrochloride Traditional Name: N-(5-chloropyrimidin-2-yl)-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]nicotinamide dihydrochloride Formula: C21H24Cl3N7O MolecularWeight: 496.82056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=C(C=CC=N2)C(=O)NC3=NC=C(C=N3)Cl)C4=CC=NC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCC1CNC2=C(C=CC=N2)C(=O)NC3=NC=C(C=N3)Cl)C4=CC=NC=C4.Cl.Cl

InChI

InChI=1S/C21H22ClN7O.2ClH/c22-16-13-26-21(27-14-16)28-20(30)18-2-1-7-24-19(18)25-12-15-5-10-29(11-6-15)17-3-8-23-9-4-17;;/h1-4,7-9,13-15H,5-6,10-12H2,(H,24,25)(H,26,27,28,30);2*1H