6-azanyl-N-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]ethyl]pyridine-3-carboxamide hydrate

Systemtic Name: 6-azanyl-N-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]ethyl]pyridine-3-carboxamide hydrate Openeye Name: 6-amino-N-[2-[4-(6-methoxy-2-pyridyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide hydrate CAS Name: 6-amino-N-[2-[4-(6-methoxy-2-pyridinyl)-1-piperazinyl]ethyl]-3-pyridinecarboxamide hydrate IUPAC Name: 6-amino-N-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]ethyl]pyridine-3-carboxamide hydrate Traditional Name: 6-amino-N-[2-[4-(6-methoxy-2-pyridyl)piperazino]ethyl]nicotinamide hydrate Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)N2CCN(CC2)CCNC(=O)C3=CN=C(C=C3)N.O

Isomeric SMILES

COC1=CC=CC(=N1)N2CCN(CC2)CCNC(=O)C3=CN=C(C=C3)N.O

InChI

InChI=1S/C18H24N6O2.H2O/c1-26-17-4-2-3-16(22-17)24-11-9-23(10-12-24)8-7-20-18(25)14-5-6-15(19)21-13-14;/h2-6,13H,7-12H2,1H3,(H2,19,21)(H,20,25);1H2