1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

C13H19F3N2O — CID 81319991

IUPAC1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C
InChIInChI=1S/C13H19F3N2O/c1-12(2,3)9(17-4)8-18-10(13(14,15)16)6-5-7-11(18)19/h5-7,9,17H,8H2,1-4H3
InChIKeyMNHGBZBXKZFAGI-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.50
Rot. Bonds3

About 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319991) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319991
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C
InChIInChI=1S/C13H19F3N2O/c1-12(2,3)9(17-4)8-18-10(13(14,15)16)6-5-7-11(18)19/h5-7,9,17H,8H2,1-4H3
InChIKeyMNHGBZBXKZFAGI-UHFFFAOYSA-N
XLogP2.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319991) is 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is CNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C.
What is the InChIKey of 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is MNHGBZBXKZFAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-12(2,3)9(17-4)8-18-10(13(14,15)16)6-5-7-11(18)19/h5-7,9,17H,8H2,1-4H3.
What are the key properties of 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-(methylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).