5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one

C15H20F6N2O — CID 170588286

IUPAC5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1c(C(F)(F)F)c(CCN(C)C)c(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C15H20F6N2O/c1-8(2)10-11(14(16,17)18)9(6-7-22(3)4)12(15(19,20)21)23(5)13(10)24/h8H,6-7H2,1-5H3
InChIKeyUGVAKAUZLXFIGA-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.65
Rot. Bonds4

About 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one

5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one (PubChem CID 170588286) has the molecular formula C15H20F6N2O and a molecular weight of 358.33 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
PubChem CID170588286
Molecular FormulaC15H20F6N2O
Molecular Weight358.33 g/mol
Exact Mass358.15
IUPAC Name5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1c(C(F)(F)F)c(CCN(C)C)c(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C15H20F6N2O/c1-8(2)10-11(14(16,17)18)9(6-7-22(3)4)12(15(19,20)21)23(5)13(10)24/h8H,6-7H2,1-5H3
InChIKeyUGVAKAUZLXFIGA-UHFFFAOYSA-N
XLogP3.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-Difluoroethyl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one
CID 145615182
1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 146615380
3-Ethyl-1,4,6-trimethyl-5-(trifluoromethyl)pyridin-2-one
CID 146630370
1,4,6-Trimethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 153496485
5-[2-(Dimethylamino)ethyl]-3-fluoro-1-(4-methylpentan-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156283271
4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 164772434
5-[2-(Dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
CID 170587660
1-Methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
CID 170587813
5-[2-(Dimethylamino)ethyl]-1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 170588236
3-Butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 170588482
1,4,6-Trimethyl-3,5-di(propan-2-yl)pyridin-2-one
CID 164990675

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one (CID 170588286) is 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one is CC(C)c1c(C(F)(F)F)c(CCN(C)C)c(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The InChIKey is UGVAKAUZLXFIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6N2O/c1-8(2)10-11(14(16,17)18)9(6-7-22(3)4)12(15(19,20)21)23(5)13(10)24/h8H,6-7H2,1-5H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one has a molecular weight of 358.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 170588286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).