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

C12H16F2N2O2 — CID 178111853

IUPAC4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one
SMILESCOC1CN(CCc2c[nH]c(=O)cc2C(F)F)C1
InChIInChI=1S/C12H16F2N2O2/c1-18-9-6-16(7-9)3-2-8-5-15-11(17)4-10(8)12(13)14/h4-5,9,12H,2-3,6-7H2,1H3,(H,15,17)
InChIKeySNTOFQNOIAMIQV-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.19
Rot. Bonds5

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

4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one (PubChem CID 178111853) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one
PubChem CID178111853
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one
SMILESCOC1CN(CCc2c[nH]c(=O)cc2C(F)F)C1
InChIInChI=1S/C12H16F2N2O2/c1-18-9-6-16(7-9)3-2-8-5-15-11(17)4-10(8)12(13)14/h4-5,9,12H,2-3,6-7H2,1H3,(H,15,17)
InChIKeySNTOFQNOIAMIQV-UHFFFAOYSA-N
XLogP1.19
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(azetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 156277636
5-[2-(3-Methoxyazetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156284277
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-[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

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one (CID 178111853) is 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one is COC1CN(CCc2c[nH]c(=O)cc2C(F)F)C1.
What is the InChIKey of 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The InChIKey is SNTOFQNOIAMIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-18-9-6-16(7-9)3-2-8-5-15-11(17)4-10(8)12(13)14/h4-5,9,12H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one?
4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one has a molecular weight of 258.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[2-(3-methoxyazetidin-1-yl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 178111853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).