HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

n-{4-[5-(1-Azabicyclo[2.2.2]oct-3-yloxy)pyrazin-2-yl]phenyl}acetamide

HCID 11427728
NotesReactions

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1ccc(-c2cnc(OC3CN4CCC3CC4)cn2)cc1
InChIKey
OMYPFJQJMXSUMS-UHFFFAOYSA-N
Molecular formula
C19H22N4O2
Average molar mass
338.4 g/mol
Monoisotopic mass
338.17427596

Names & identifiers

Preferred name
n-{4-[5-(1-Azabicyclo[2.2.2]oct-3-yloxy)pyrazin-2-yl]phenyl}acetamide
IUPAC
N-[4-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrazin-2-yl]phenyl]acetamide

Names & synonyms

SCHEMBL5399836OMYPFJQJMXSUMS-UHFFFAOYSA-Nn-{4-[5-(1-azabicyclo[2.2.2]oct-3-yloxy)pyrazin-2-yl]phenyl}acetamide

Database identifiers

PubChem CID
11427728

Properties

Computed structural propertiesFilling in

XLogP
1.5
Topological polar surface area
67.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
458

Related reactions

2 records
New reaction record
HRID 688136 reaction equation
HRID 688136As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 969991 reaction equation
HRID 969991As reactantuspto-grants-2007_12

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes