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

C15H22F3N3O2 — CID 176690693

IUPAC5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCNCCn1cc(CCN2CC(OC)C2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C15H22F3N3O2/c1-19-4-6-21-8-11(3-5-20-9-12(10-20)23-2)13(7-14(21)22)15(16,17)18/h7-8,12,19H,3-6,9-10H2,1-2H3
InChIKeyLWLFKXMRZRVVHM-UHFFFAOYSA-N
MW333.35 g/mol
LogP0.96
Rot. Bonds7

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

5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 176690693) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID176690693
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCNCCn1cc(CCN2CC(OC)C2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C15H22F3N3O2/c1-19-4-6-21-8-11(3-5-20-9-12(10-20)23-2)13(7-14(21)22)15(16,17)18/h7-8,12,19H,3-6,9-10H2,1-2H3
InChIKeyLWLFKXMRZRVVHM-UHFFFAOYSA-N
XLogP0.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[2-(3-Methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283171
2-[5-[2-(3-Methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen
CID 156728758
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
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-[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
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
1-[4-(2-Methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279870

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one (CID 176690693) is 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one is CNCCn1cc(CCN2CC(OC)C2)c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is LWLFKXMRZRVVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-19-4-6-21-8-11(3-5-20-9-12(10-20)23-2)13(7-14(21)22)15(16,17)18/h7-8,12,19H,3-6,9-10H2,1-2H3.
What are the key properties of 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one?
5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 333.35 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 176690693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).