1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

C13H19F3N2O2 — CID 81320114

IUPAC1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H19F3N2O2/c1-20-10-8-17-7-2-3-9-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,17H,2-3,7-10H2,1H3
InChIKeyZVOBZJKUFOWBJG-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.88
Rot. Bonds8

About 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320114) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320114
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H19F3N2O2/c1-20-10-8-17-7-2-3-9-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,17H,2-3,7-10H2,1H3
InChIKeyZVOBZJKUFOWBJG-UHFFFAOYSA-N
XLogP1.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.88
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-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
CID 173118295
N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one
CID 177207116
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
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
2,2,2-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 62733372
1-[4-(2-Methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279870
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63826173
5-Amino-1-(2-(trifluoromethoxy)ethyl)pyridin-2(1h)-one
CID 65803656
5-Amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one
CID 66274771

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (CID 81320114) is 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is COCCNCCCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZVOBZJKUFOWBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-20-10-8-17-7-2-3-9-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,17H,2-3,7-10H2,1H3.
What are the key properties of 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 292.30 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).