5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C13H17F3N2O2 — CID 178111697

IUPAC5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOC1CN(CCCc2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O2/c1-20-10-7-18(8-10)4-2-3-9-6-17-12(19)5-11(9)13(14,15)16/h5-6,10H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyXMJPNIDOCVJIFS-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.66
Rot. Bonds5

About 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 178111697) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID178111697
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOC1CN(CCCc2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O2/c1-20-10-7-18(8-10)4-2-3-9-6-17-12(19)5-11(9)13(14,15)16/h5-6,10H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyXMJPNIDOCVJIFS-UHFFFAOYSA-N
XLogP1.66
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747277
5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 171825625
5-[2-(3-Methoxyazetidin-1-yl)ethyl]-1-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 172281496
5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 172281622
5-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 172281793
1-Amino-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one
CID 176690609
5-[2-(3-Methoxyazetidin-1-yl)ethyl]-1-(methylaminomethyl)-4-(trifluoromethyl)pyridin-2-one
CID 176690612
1-Ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one
CID 176690622
5-[2-(3-Methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one
CID 176690693
5-[2-(3-ethoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 178111699
5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 178111716
4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one
CID 178111853

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 178111697) is 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one is COC1CN(CCCc2c[nH]c(=O)cc2C(F)(F)F)C1.
What is the InChIKey of 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XMJPNIDOCVJIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-20-10-7-18(8-10)4-2-3-9-6-17-12(19)5-11(9)13(14,15)16/h5-6,10H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 290.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 178111697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).