N-[1-(3-cyano-4,6-dimethylpyridin-2-yl)azetidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide

HCID 67006553
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C)c(C#N)c(N2CC(NC(=O)c3cnc(-c4cccc(F)c4)nc3)C2)n1
InChIKey
WUKFYYGRTAIOSQ-UHFFFAOYSA-N
Molecular formula
C22H19FN6O
Average molar mass
402.4 g/mol
Monoisotopic mass
402.16043741

Names & identifiers

Preferred name
N-[1-(3-cyano-4,6-dimethylpyridin-2-yl)azetidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
IUPAC
N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)azetidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide

Names & synonyms

SCHEMBL1364700WUKFYYGRTAIOSQ-UHFFFAOYSA-NN-[1-(3-cyano-4,6-dimethylpyridin-2-yl)azetidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide

Database identifiers

PubChem CID
67006553

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
94.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

Loading…