N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide (Q27455564)

N-Benzyl-6-{(3-endo)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]oct-8-yl}nicotinamide (English)

19 October 2016

chemical formula

C₂₉H₃₂N₄O₃

1 reference

stated in

RCSB protein data bank

PDB ligand ID

592

16 February 2021

canonical SMILES

CC1=C(C=CC=C1OC)C(=O)NC2CC3CCC(C2)N3C4=CC=C(C=N4)C(=O)NCC5=CC=CC=C5

1 reference

N-Benzyl-6-{(3-endo)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]oct-8-yl}nicotinamide (English)

19 October 2016

isomeric SMILES

Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5

1 reference

stated in

RCSB protein data bank

PDB ligand ID

592

InChI=1S/C29H32N4O3/c1-19-25(9-6-10-26(19)36-2)29(35)32-22-15-23-12-13-24(16-22)33(23)27-14-11-21(18-30-27)28(34)31-17-20-7-4-3-5-8-20/h3-11,14,18,22-24H,12-13,15-17H2,1-2H3,(H,31,34)(H,32,35)/t22-,23+,24-

16 February 2021

Identifiers

InChI

1 reference

N-Benzyl-6-{(3-endo)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]oct-8-yl}nicotinamide (English)

JXXRMCOYDPMQEY-BKFWDETESA-N

19 October 2016

InChIKey

1 reference

N-Benzyl-6-{(3-endo)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]oct-8-yl}nicotinamide (English)

19 October 2016

1 reference

N-Benzyl-6-{(3-endo)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]oct-8-yl}nicotinamide (English)

19 October 2016

0 references

1 reference

4AWQ (English)