1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one

C11H15F3N2O — CID 146182946

IUPAC1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
SMILESCN(CCc1ccc(=O)n(C)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-15(8-11(12,13)14)6-5-9-3-4-10(17)16(2)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyPCNUZKDGDMUILG-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.42
Rot. Bonds4

About 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one

1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one (PubChem CID 146182946) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
PubChem CID146182946
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
SMILESCN(CCc1ccc(=O)n(C)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-15(8-11(12,13)14)6-5-9-3-4-10(17)16(2)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyPCNUZKDGDMUILG-UHFFFAOYSA-N
XLogP1.42
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile
CID 2736732
2(1H)-Pyridinone, 1-methyl-5-(trifluoromethyl)-
CID 4534802
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 60643006
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978
2-[2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetonitrile
CID 14836987
4-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]butanenitrile
CID 55027702
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-(3-Oxobutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57986013
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one (CID 146182946) is 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one is CN(CCc1ccc(=O)n(C)c1)CC(F)(F)F.
What is the InChIKey of 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
The InChIKey is PCNUZKDGDMUILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-15(8-11(12,13)14)6-5-9-3-4-10(17)16(2)7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one?
1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one has a molecular weight of 248.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 146182946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).