3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one

C15H23F3N2O — CID 170588482

IUPAC3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCC(C)c1cc(CCN(C)C)c(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C15H23F3N2O/c1-6-10(2)12-9-11(7-8-19(3)4)13(15(16,17)18)20(5)14(12)21/h9-10H,6-8H2,1-5H3
InChIKeyZIDCULWSYGUXEP-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.02
Rot. Bonds5

About 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one

3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 170588482) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID170588482
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCC(C)c1cc(CCN(C)C)c(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C15H23F3N2O/c1-6-10(2)12-9-11(7-8-19(3)4)13(15(16,17)18)20(5)14(12)21/h9-10H,6-8H2,1-5H3
InChIKeyZIDCULWSYGUXEP-UHFFFAOYSA-N
XLogP3.02
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-Dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 89458525
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-[4-[5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidin-1-yl]methanone
CID 126749050
1,6-Dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 134418673
6-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide
CID 143290985
2-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohepta-1,3,5-triene-1-carboxamide
CID 143291003
1-(8-acetyl-7-ethyl-4,4-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 144086527
4-(1,1-Difluoroethyl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one
CID 145615182
3-But-3-en-2-yl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 145615234
1-(2-Methylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 145697734
5-[2-(Dimethylamino)ethyl]-1-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 146182753
5-[2-(Dimethylamino)ethyl]-1-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 146191532

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one (CID 170588482) is 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one is CCC(C)c1cc(CCN(C)C)c(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZIDCULWSYGUXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-6-10(2)12-9-11(7-8-19(3)4)13(15(16,17)18)20(5)14(12)21/h9-10H,6-8H2,1-5H3.
What are the key properties of 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one?
3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-[2-(dimethylamino)ethyl]-1-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 170588482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).