5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one

C13H19F3N2O — CID 146191532

IUPAC5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1cc(CCN(C)C)cc(C(F)(F)F)c1=O
InChIInChI=1S/C13H19F3N2O/c1-9(2)18-8-10(5-6-17(3)4)7-11(12(18)19)13(14,15)16/h7-9H,5-6H2,1-4H3
InChIKeyQAYGTUGKUMPSJM-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.55
Rot. Bonds4

About 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one

5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 146191532) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
PubChem CID146191532
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1cc(CCN(C)C)cc(C(F)(F)F)c1=O
InChIInChI=1S/C13H19F3N2O/c1-9(2)18-8-10(5-6-17(3)4)7-11(12(18)19)13(14,15)16/h7-9H,5-6H2,1-4H3
InChIKeyQAYGTUGKUMPSJM-UHFFFAOYSA-N
XLogP2.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one (CID 146191532) is 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one is CC(C)n1cc(CCN(C)C)cc(C(F)(F)F)c1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is QAYGTUGKUMPSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-9(2)18-8-10(5-6-17(3)4)7-11(12(18)19)13(14,15)16/h7-9H,5-6H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one?
5-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.30 g/mol, XLogP of 2.55, 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-propan-2-yl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 146191532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).