N'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide (Q27459085)

N'-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]isonicotinohydrazide (English)

19 October 2016

chemical formula

C₁₇H₂₁N₃O₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

D5I

16 February 2021

canonical SMILES

C1=CN=CC=C1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

1 reference

N'-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]isonicotinohydrazide (English)

InChI=1S/C17H21N3O2/c21-15(14-1-3-18-4-2-14)19-20-16(22)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13-,17-

19 October 2016

isomeric SMILES

O=C(NNC(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccncc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

1 reference

N'-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]isonicotinohydrazide (English)

VXKCGGYPMLXZKG-FBBPANFNSA-N

19 October 2016

InChIKey

1 reference

N'-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]isonicotinohydrazide (English)

19 October 2016

1 reference

N'-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]isonicotinohydrazide (English)

19 October 2016

0 references

1 reference

4MGV (English)