2-(3-methylpiperazin-1-yl)-N-[(2S)-2-oxidanylcyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-(3-methylpiperazin-1-yl)-N-[(2S)-2-oxidanylcyclohexyl]pyridine-3-carboxamide Openeye Name: N-[(2S)-2-hydroxycyclohexyl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(2S)-2-hydroxycyclohexyl]-2-(3-methyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(2S)-2-hydroxycyclohexyl]-2-(3-methylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[(2S)-2-hydroxycyclohexyl]-2-(3-methylpiperazino)nicotinamide Formula: C17H26N4O2 MolecularWeight: 318.41394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)NC3CCCCC3O

Isomeric SMILES

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)NC3CCCC[C@@H]3O

InChI

InChI=1S/C17H26N4O2/c1-12-11-21(10-9-18-12)16-13(5-4-8-19-16)17(23)20-14-6-2-3-7-15(14)22/h4-5,8,12,14-15,18,22H,2-3,6-7,9-11H2,1H3,(H,20,23)/t12?,14?,15-/m0/s1