1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane

C14H20F6N2O — CID 177030591

IUPAC1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane
SMILESCC.Cc1c(C(F)(F)F)cc(C(F)(F)F)n(CCN(C)C)c1=O
InChIInChI=1S/C12H14F6N2O.C2H6/c1-7-8(11(13,14)15)6-9(12(16,17)18)20(10(7)21)5-4-19(2)3;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyOWPPQOLIOAUDAF-UHFFFAOYSA-N
MW346.32 g/mol
LogP3.78
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane

1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane (PubChem CID 177030591) has the molecular formula C14H20F6N2O and a molecular weight of 346.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane
PubChem CID177030591
Molecular FormulaC14H20F6N2O
Molecular Weight346.32 g/mol
Exact Mass346.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane
SMILESCC.Cc1c(C(F)(F)F)cc(C(F)(F)F)n(CCN(C)C)c1=O
InChIInChI=1S/C12H14F6N2O.C2H6/c1-7-8(11(13,14)15)6-9(12(16,17)18)20(10(7)21)5-4-19(2)3;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyOWPPQOLIOAUDAF-UHFFFAOYSA-N
XLogP3.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014
1,4-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 22382050
1,3,6-Trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 89469037
4-(Difluoromethyl)-1,3,6-trimethylpyridin-2-one
CID 124019262
3-Ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 134419157
1-Ethyl-3,4-dimethyl-6-(trifluoromethyl)pyridin-2-one
CID 145311455
1,6-Dimethyl-3-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 146769049
Ethane;1,3,6-trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 153576822
1,5,6-Trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 156082379
Ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 156638572
1,3,4-Trimethyl-6-(trifluoromethyl)pyridin-2-one
CID 163461061
3-(Difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
CID 165398045

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane (CID 177030591) is 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane is CC.Cc1c(C(F)(F)F)cc(C(F)(F)F)n(CCN(C)C)c1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane?
The InChIKey is OWPPQOLIOAUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O.C2H6/c1-7-8(11(13,14)15)6-9(12(16,17)18)20(10(7)21)5-4-19(2)3;1-2/h6H,4-5H2,1-3H3;1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane?
1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane has a molecular weight of 346.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methyl-4,6-bis(trifluoromethyl)pyridin-2-one;ethane is sourced from PubChem (CID 177030591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).