5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one

C14H21FN2O — CID 146182789

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(=O)n(C(C)C)cc1CCN1CC(F)C1
InChIInChI=1S/C14H21FN2O/c1-10(2)17-7-12(11(3)6-14(17)18)4-5-16-8-13(15)9-16/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyCAKQUMNEZLNKQG-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.93
Rot. Bonds4

About 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one

5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 146182789) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
PubChem CID146182789
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(=O)n(C(C)C)cc1CCN1CC(F)C1
InChIInChI=1S/C14H21FN2O/c1-10(2)17-7-12(11(3)6-14(17)18)4-5-16-8-13(15)9-16/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyCAKQUMNEZLNKQG-UHFFFAOYSA-N
XLogP1.93
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,6-dimethylphenyl)phenyl]-3-[[2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoic acid
CID 139579639
(2S)-N-[(1S)-1-[3-(2,6-dimethylphenyl)phenyl]-3-oxobutyl]-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanamide
CID 157200642
2-ethyl-2-[(S)-[[2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]butanoic acid
CID 175781155
ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
CID 156728432
(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoic acid;methyl (3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoate
CID 158120675
3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine
CID 175088165
lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide
CID 159653011
5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
CID 176690583
5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 178111898
(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide
CID 175920209
3-ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one
CID 171826288
(3S)-3-[2,6-difluoro-3-methyl-5-(2,4,6-trimethylphenyl)phenyl]-3-[[(2S)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxopyrimidin-1-yl]-4-methylpentanoyl]amino]propanoic acid
CID 169085211

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one (CID 146182789) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one is Cc1cc(=O)n(C(C)C)cc1CCN1CC(F)C1.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is CAKQUMNEZLNKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)17-7-12(11(3)6-14(17)18)4-5-16-8-13(15)9-16/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 252.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).