1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one

C12H17F3N2O2 — CID 81319658

IUPAC1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O2/c1-19-9-7-16-6-3-8-17-10(12(13,14)15)4-2-5-11(17)18/h2,4-5,16H,3,6-9H2,1H3
InChIKeyVQBSTHLHXLYPRC-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.49
Rot. Bonds7

About 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one

1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319658) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319658
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O2/c1-19-9-7-16-6-3-8-17-10(12(13,14)15)4-2-5-11(17)18/h2,4-5,16H,3,6-9H2,1H3
InChIKeyVQBSTHLHXLYPRC-UHFFFAOYSA-N
XLogP1.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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
2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide
CID 47456165
(2E)-N-methyl-4-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]penta-2,4-dienamide
CID 90245813
N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
CID 173118295
N-[(2R)-1-methoxypropan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 32069418
N-[(2S)-1-methoxypropan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 32069428
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
N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 51075642
6-methyl-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 53506670
5-Amino-1-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]pyridin-2-one
CID 55006739

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319658) is 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one is COCCNCCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is VQBSTHLHXLYPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-19-9-7-16-6-3-8-17-10(12(13,14)15)4-2-5-11(17)18/h2,4-5,16H,3,6-9H2,1H3.
What are the key properties of 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 278.27 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).