4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-amino-2fluorophenoxy)pyridin-2-yl]amide

HCID 57677758

Basic information

Standard SMILES
Nc1ccc(Oc2ccnc(NC(=O)N3CCN(CCN4CCC4)CC3)c2)c(F)c1
InChIKey
LAKLYJAGCHSDFM-UHFFFAOYSA-N
Molecular formula
C21H27FN6O2
Average molar mass
414.5 g/mol
Monoisotopic mass
414.21795229

Names & identifiers

Preferred name
4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-amino-2fluorophenoxy)pyridin-2-yl]amide
IUPAC
N-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-4-[2-(azetidin-1-yl)ethyl]piperazine-1-carboxamide

Names & synonyms

SCHEMBL13861569LAKLYJAGCHSDFM-UHFFFAOYSA-N4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-amino-2-fluorophenoxy)pyridin-2-yl]amide4-[2-(azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-amino-2fluorophenoxy)pyridin-2-yl]amide

Database identifiers

PubChem CID
57677758

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
87 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

6 records

Compound notes

Loading…