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

C12H17F3N2O2 — CID 107506369

IUPAC1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNC(COC)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O2/c1-3-16-9(8-19-2)7-17-10(12(13,14)15)5-4-6-11(17)18/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyHNKKSNFYVCBCLZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.49
Rot. Bonds6

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

1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 107506369) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID107506369
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNC(COC)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O2/c1-3-16-9(8-19-2)7-17-10(12(13,14)15)5-4-6-11(17)18/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyHNKKSNFYVCBCLZ-UHFFFAOYSA-N
XLogP1.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one (CID 107506369) is 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one is CCNC(COC)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is HNKKSNFYVCBCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-3-16-9(8-19-2)7-17-10(12(13,14)15)5-4-6-11(17)18/h4-6,9,16H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 278.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3-methoxypropyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 107506369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).