1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one

C13H19F3N2O — CID 81319399

IUPAC1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)C
InChIInChI=1S/C13H19F3N2O/c1-4-17-10(9(2)3)8-18-11(13(14,15)16)6-5-7-12(18)19/h5-7,9-10,17H,4,8H2,1-3H3
InChIKeyBIQBIGBQFYLINZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319399) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319399
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)C
InChIInChI=1S/C13H19F3N2O/c1-4-17-10(9(2)3)8-18-11(13(14,15)16)6-5-7-12(18)19/h5-7,9-10,17H,4,8H2,1-3H3
InChIKeyBIQBIGBQFYLINZ-UHFFFAOYSA-N
XLogP2.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319399) is 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one is CCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)C.
What is the InChIKey of 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is BIQBIGBQFYLINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-4-17-10(9(2)3)8-18-11(13(14,15)16)6-5-7-12(18)19/h5-7,9-10,17H,4,8H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3-methylbutyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).