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

C14H18F6N2O — CID 170587660

IUPAC5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1c(C(F)(F)F)c(CCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C14H18F6N2O/c1-8(2)22-11(23)7-10(13(15,16)17)9(5-6-21(3)4)12(22)14(18,19)20/h7-8H,5-6H2,1-4H3
InChIKeyCOGXTOTZQRGWEZ-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.57
Rot. Bonds4

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

5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one (PubChem CID 170587660) has the molecular formula C14H18F6N2O and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
PubChem CID170587660
Molecular FormulaC14H18F6N2O
Molecular Weight344.30 g/mol
Exact Mass344.13
IUPAC Name5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1c(C(F)(F)F)c(CCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C14H18F6N2O/c1-8(2)22-11(23)7-10(13(15,16)17)9(5-6-21(3)4)12(22)14(18,19)20/h7-8H,5-6H2,1-4H3
InChIKeyCOGXTOTZQRGWEZ-UHFFFAOYSA-N
XLogP3.57
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.57
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-4,6-bis(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one (CID 170587660) is 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one is CC(C)n1c(C(F)(F)F)c(CCN(C)C)c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
The InChIKey is COGXTOTZQRGWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6N2O/c1-8(2)22-11(23)7-10(13(15,16)17)9(5-6-21(3)4)12(22)14(18,19)20/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one?
5-[2-(dimethylamino)ethyl]-1-propan-2-yl-4,6-bis(trifluoromethyl)pyridin-2-one has a molecular weight of 344.30 g/mol, XLogP of 3.57, 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-4,6-bis(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 170587660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).