5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one

C17H23FN2O2 — CID 153352728

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
SMILESCC1CCC(=O)C(n2cc(CCN3CC(F)C3)ccc2=O)C1
InChIInChI=1S/C17H23FN2O2/c1-12-2-4-16(21)15(8-12)20-9-13(3-5-17(20)22)6-7-19-10-14(18)11-19/h3,5,9,12,14-15H,2,4,6-8,10-11H2,1H3
InChIKeyAFMIHZGHEPXQFI-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.97
Rot. Bonds4

About 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one

5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one (PubChem CID 153352728) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
PubChem CID153352728
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
SMILESCC1CCC(=O)C(n2cc(CCN3CC(F)C3)ccc2=O)C1
InChIInChI=1S/C17H23FN2O2/c1-12-2-4-16(21)15(8-12)20-9-13(3-5-17(20)22)6-7-19-10-14(18)11-19/h3,5,9,12,14-15H,2,4,6-8,10-11H2,1H3
InChIKeyAFMIHZGHEPXQFI-UHFFFAOYSA-N
XLogP1.97
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one (CID 153352728) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one is CC1CCC(=O)C(n2cc(CCN3CC(F)C3)ccc2=O)C1.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one?
The InChIKey is AFMIHZGHEPXQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12-2-4-16(21)15(8-12)20-9-13(3-5-17(20)22)6-7-19-10-14(18)11-19/h3,5,9,12,14-15H,2,4,6-8,10-11H2,1H3.
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one has a molecular weight of 306.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one is sourced from PubChem (CID 153352728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).