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

C14H19F3N2O2 — CID 176690622

IUPAC1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCCn1cc(CCN2CC(OC)C2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C14H19F3N2O2/c1-3-19-7-10(4-5-18-8-11(9-18)21-2)12(6-13(19)20)14(15,16)17/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyXOBLFDDDHQBHKT-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.76
Rot. Bonds5

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

1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 176690622) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID176690622
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCCn1cc(CCN2CC(OC)C2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C14H19F3N2O2/c1-3-19-7-10(4-5-18-8-11(9-18)21-2)12(6-13(19)20)14(15,16)17/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyXOBLFDDDHQBHKT-UHFFFAOYSA-N
XLogP1.76
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-Methoxyazetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156284277
5-[2-[3-(Methoxymethyl)azetidin-1-yl]ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
CID 169996321
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
3-Propanoyl-1-[2-[3-(trifluoromethoxy)azetidin-1-yl]ethyl]pyridin-2-one
CID 172376698
lithium;carbanide;(E)-4-methanidylidene-6-(3-methoxyazetidin-1-yl)-3-(trifluoromethyl)hex-2-en-1-one
CID 176690576
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
3-Fluoro-5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one;5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 176690618
5-[2-(3-Methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one
CID 176690693
5-[3-(3-methoxyazetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 178111697
5-[2-(3-ethoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 178111699

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one (CID 176690622) is 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one is CCn1cc(CCN2CC(OC)C2)c(C(F)(F)F)cc1=O.
What is the InChIKey of 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is XOBLFDDDHQBHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-19-7-10(4-5-18-8-11(9-18)21-2)12(6-13(19)20)14(15,16)17/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one?
1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 176690622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).