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CHEBI:98467 - N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-3-carboxamide

ChEBI IDCHEBI:98467
ChEBI NameN-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-3-carboxamide
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DownloadsMolfile
FormulaC21H30N4O4
Net Charge0
Average Mass402.495
Monoisotopic Mass402.22671
SMILESO=C(C[C@@H]1C=C[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCCN1CCCCC1
InChIInChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18-,19+/m0/s1
InChIKeyVGDFEWNPUKUXSQ-GBESFXJTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-3-carboxamide (CHEBI:98467) has functional parent nicotinamide (CHEBI:17154)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-3-carboxamide (CHEBI:98467) is a pyridinecarboxamide (CHEBI:25529)
Manual XrefsDatabases
LSM-9846LINCS