5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one

C12H15F3N2O — CID 176690535

IUPAC5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(CCN2CCC2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C12H15F3N2O/c1-16-8-9(3-6-17-4-2-5-17)10(7-11(16)18)12(13,14)15/h7-8H,2-6H2,1H3
InChIKeyZWOAEOYCAANIMA-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.65
Rot. Bonds3

About 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one

5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 176690535) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID176690535
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(CCN2CCC2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C12H15F3N2O/c1-16-8-9(3-6-17-4-2-5-17)10(7-11(16)18)12(13,14)15/h7-8H,2-6H2,1H3
InChIKeyZWOAEOYCAANIMA-UHFFFAOYSA-N
XLogP1.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1H-pyridin-2-one
CID 139579678
5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 139579857
5-[2-(Dimethylamino)ethyl]-1-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 146182753
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
CID 146182789
4-[(3-Fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
CID 146182941
5-[2-[2,2-Difluoroethyl(methyl)amino]ethyl]-1-methylpyridin-2-one
CID 146182945
1-Methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
CID 146182946
5-[[2,2-Difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one
CID 146182948
1-Ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one
CID 146189687
5-[2-[2,2-Difluoroethyl(methyl)amino]ethyl]-1-ethylpyridin-2-one
CID 146189688
4-[1-(Azetidin-1-yl)-2,2,2-trifluoroethyl]-1-propan-2-ylpyridin-2-one
CID 146191540
Ethane;1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
CID 153352768

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one (CID 176690535) is 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one is Cn1cc(CCN2CCC2)c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZWOAEOYCAANIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-16-8-9(3-6-17-4-2-5-17)10(7-11(16)18)12(13,14)15/h7-8H,2-6H2,1H3.
What are the key properties of 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one?
5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 260.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 176690535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).