EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:98395 - N-[(2S,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide

ChEBI IDCHEBI:98395
ChEBI NameN-[(2S,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
Stars
DownloadsMolfile
FormulaC18H23N3O4
Net Charge0
Average Mass345.399
Monoisotopic Mass345.16886
SMILESO=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CC1
InChIInChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15-,16+/m0/s1
InChIKeyUGRHUCUWEJLITN-HRCADAONSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide (CHEBI:98395) is a pyridinecarboxamide (CHEBI:25529)
Manual XrefsDatabases
LSM-9774LINCS