1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one

C13H19FN2O — CID 156728192

IUPAC1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one
SMILESCCn1cc(CCN2CC(F)C2)c(C)cc1=O
InChIInChI=1S/C13H19FN2O/c1-3-16-7-11(10(2)6-13(16)17)4-5-15-8-12(14)9-15/h6-7,12H,3-5,8-9H2,1-2H3
InChIKeyCFDHXORUIIDODW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.37
Rot. Bonds4

About 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one

1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one (PubChem CID 156728192) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one
PubChem CID156728192
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one
SMILESCCn1cc(CCN2CC(F)C2)c(C)cc1=O
InChIInChI=1S/C13H19FN2O/c1-3-16-7-11(10(2)6-13(16)17)4-5-15-8-12(14)9-15/h6-7,12H,3-5,8-9H2,1-2H3
InChIKeyCFDHXORUIIDODW-UHFFFAOYSA-N
XLogP1.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.37
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]-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-[2-(Dimethylamino)-1-fluoroethyl]-1-propan-2-ylpyridin-2-one
CID 146182790
5-[(1-Fluoroazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
CID 146182791
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
CID 146182798
4-[(3-Fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
CID 146182941
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
5-[2-(azetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 156277636
3-Fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)pyridin-2-one
CID 156283252

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one?
The IUPAC name of 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one (CID 156728192) is 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one is CCn1cc(CCN2CC(F)C2)c(C)cc1=O.
What is the InChIKey of 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one?
The InChIKey is CFDHXORUIIDODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-16-7-11(10(2)6-13(16)17)4-5-15-8-12(14)9-15/h6-7,12H,3-5,8-9H2,1-2H3.
What are the key properties of 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one?
1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one is sourced from PubChem (CID 156728192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).