5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one

C17H25F3N2O2 — CID 156728377

IUPAC5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
SMILESCC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C17H25F3N2O2/c1-11(2)8-15(12(3)23)22-10-13(6-7-21(4)5)14(9-16(22)24)17(18,19)20/h9-11,15H,6-8H2,1-5H3
InChIKeyHGMQGGFHAONXBU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.15
Rot. Bonds7

About 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one

5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 156728377) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID156728377
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
SMILESCC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C17H25F3N2O2/c1-11(2)8-15(12(3)23)22-10-13(6-7-21(4)5)14(9-16(22)24)17(18,19)20/h9-11,15H,6-8H2,1-5H3
InChIKeyHGMQGGFHAONXBU-UHFFFAOYSA-N
XLogP3.15
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one (CID 156728377) is 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one is CC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is HGMQGGFHAONXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-11(2)8-15(12(3)23)22-10-13(6-7-21(4)5)14(9-16(22)24)17(18,19)20/h9-11,15H,6-8H2,1-5H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one?
5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 156728377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).