U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H31N5O2
Molecular Weight 397.5147
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RS-97078 FREE BASE

SMILES

CN(C)C(=O)c1cccnc1NCCCN2CCN(CC2)c3ccccc3OC

InChI

InChIKey=MNIPVWNHCWNYRB-UHFFFAOYSA-N
InChI=1S/C22H31N5O2/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C22H31N5O2
Molecular Weight 397.5147
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:02:40 UTC 2021
Edited
by admin
on Sat Jun 26 08:02:40 UTC 2021
Record UNII
2L5SGH4CVS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RS-97078 FREE BASE
Code English
3-PYRIDINECARBOXAMIDE, 2-((3-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)PROPYL)AMINO)-N,N-DIMETHYL-
Systematic Name English
2-(3-(4-(2-METHOXYPHENYL)PIPERAZIN-1-YL)PROPYLAMINO)-N,N-DIMETHYLNICOTINAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
2L5SGH4CVS
Created by admin on Sat Jun 26 08:02:40 UTC 2021 , Edited by admin on Sat Jun 26 08:02:40 UTC 2021
PRIMARY
PUBCHEM
9865577
Created by admin on Sat Jun 26 08:02:40 UTC 2021 , Edited by admin on Sat Jun 26 08:02:40 UTC 2021
PRIMARY
CAS
723731-91-7
Created by admin on Sat Jun 26 08:02:40 UTC 2021 , Edited by admin on Sat Jun 26 08:02:40 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY