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

C11H15F3N2O2 — CID 81318594

IUPAC1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H15F3N2O2/c1-18-8-6-15-5-7-16-9(11(12,13)14)3-2-4-10(16)17/h2-4,15H,5-8H2,1H3
InChIKeyDLTDWPONTSEKFB-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.10
Rot. Bonds6

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

1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318594) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318594
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H15F3N2O2/c1-18-8-6-15-5-7-16-9(11(12,13)14)3-2-4-10(16)17/h2-4,15H,5-8H2,1H3
InChIKeyDLTDWPONTSEKFB-UHFFFAOYSA-N
XLogP1.10
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 20117994
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
CID 97223378
3-Amino-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 118155161
N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
CID 173118295
5-Fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one
CID 178099415
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 43259845
5-Amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
CID 43260196
2,2,2-trifluoroethyl N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]carbamate
CID 45835474
2-(3-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 55035707
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one
CID 60876981
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492443
3-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 62102937

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318594) is 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is COCCNCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is DLTDWPONTSEKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-18-8-6-15-5-7-16-9(11(12,13)14)3-2-4-10(16)17/h2-4,15H,5-8H2,1H3.
What are the key properties of 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 264.25 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).