QAZ

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Summary

Name:(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
Synonyms:(3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
Formula:C21 H29 N5 O2
Formal charge:0
Molecular weight:383.487 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{R},4~{R})-~{N}-cyclohexyl-4-[(3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H29N5O2/c1-13-11-14-7-10-23-19(18(14)26-20(13)27)25-17-8-9-22-12-16(17)21(28)24-15-5-3-2-4-6-15/h7,10-11,15-17,22H,2-6,8-9,12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1
InChIKeyInChI1.03IKBQHNYWAGFECR-IAGOWNOFSA-N
SMILES_CANONICALCACTVS3.385CC1=Cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC4CCCCC4)c2NC1=O
SMILESCACTVS3.385CC1=Cc2ccnc(N[CH]3CCNC[CH]3C(=O)NC4CCCCC4)c2NC1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3C(=O)NC4CCCCC4
SMILESOpenEye OEToolkits2.0.7CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3C(=O)NC4CCCCC4
167518
PDB entries from 2020-08-12