1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C13H17F3N2O — CID 81319041

IUPAC1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCC(NCCn1c(C(F)(F)F)cccc1=O)C1CC1
InChIInChI=1S/C13H17F3N2O/c1-9(10-5-6-10)17-7-8-18-11(13(14,15)16)3-2-4-12(18)19/h2-4,9-10,17H,5-8H2,1H3
InChIKeyTYIQMPUMOQXJHI-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319041) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319041
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCC(NCCn1c(C(F)(F)F)cccc1=O)C1CC1
InChIInChI=1S/C13H17F3N2O/c1-9(10-5-6-10)17-7-8-18-11(13(14,15)16)3-2-4-12(18)19/h2-4,9-10,17H,5-8H2,1H3
InChIKeyTYIQMPUMOQXJHI-UHFFFAOYSA-N
XLogP2.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319041) is 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is CC(NCCn1c(C(F)(F)F)cccc1=O)C1CC1.
What is the InChIKey of 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is TYIQMPUMOQXJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(10-5-6-10)17-7-8-18-11(13(14,15)16)3-2-4-12(18)19/h2-4,9-10,17H,5-8H2,1H3.
What are the key properties of 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropylethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).