1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C13H17F3N2O2 — CID 81320215

IUPAC1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCNC1CCOCC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)11-2-1-3-12(19)18(11)7-6-17-10-4-8-20-9-5-10/h1-3,10,17H,4-9H2
InChIKeyGKFLDNYSEMIIMK-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.64
Rot. Bonds4

About 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320215) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320215
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCNC1CCOCC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)11-2-1-3-12(19)18(11)7-6-17-10-4-8-20-9-5-10/h1-3,10,17H,4-9H2
InChIKeyGKFLDNYSEMIIMK-UHFFFAOYSA-N
XLogP1.64
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81320215) is 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CCNC1CCOCC1.
What is the InChIKey of 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is GKFLDNYSEMIIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)11-2-1-3-12(19)18(11)7-6-17-10-4-8-20-9-5-10/h1-3,10,17H,4-9H2.
What are the key properties of 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).