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

C11H16FN3O — CID 130267709

IUPAC3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one
SMILESCc1cc(N)c(=O)n(CCN2CC(F)C2)c1
InChIInChI=1S/C11H16FN3O/c1-8-4-10(13)11(16)15(5-8)3-2-14-6-9(12)7-14/h4-5,9H,2-3,6-7,13H2,1H3
InChIKeyADSWHHKEHXEORC-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.39
Rot. Bonds3

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

3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one (PubChem CID 130267709) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one
PubChem CID130267709
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one
SMILESCc1cc(N)c(=O)n(CCN2CC(F)C2)c1
InChIInChI=1S/C11H16FN3O/c1-8-4-10(13)11(16)15(5-8)3-2-14-6-9(12)7-14/h4-5,9H,2-3,6-7,13H2,1H3
InChIKeyADSWHHKEHXEORC-UHFFFAOYSA-N
XLogP0.39
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one?
The IUPAC name of 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one (CID 130267709) is 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one is Cc1cc(N)c(=O)n(CCN2CC(F)C2)c1.
What is the InChIKey of 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one?
The InChIKey is ADSWHHKEHXEORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8-4-10(13)11(16)15(5-8)3-2-14-6-9(12)7-14/h4-5,9H,2-3,6-7,13H2,1H3.
What are the key properties of 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one?
3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one has a molecular weight of 225.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methylpyridin-2-one is sourced from PubChem (CID 130267709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).