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

C14H21F3N2O2 — CID 81310932

IUPAC1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCCOCCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H21F3N2O2/c1-2-3-10-21-11-8-18-7-9-19-12(14(15,16)17)5-4-6-13(19)20/h4-6,18H,2-3,7-11H2,1H3
InChIKeyQDDDOQWXOJNKJX-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.27
Rot. Bonds9

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

1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310932) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310932
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCCOCCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C14H21F3N2O2/c1-2-3-10-21-11-8-18-7-9-19-12(14(15,16)17)5-4-6-13(19)20/h4-6,18H,2-3,7-11H2,1H3
InChIKeyQDDDOQWXOJNKJX-UHFFFAOYSA-N
XLogP2.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[2-(3-methylbutoxy)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47061688
1-[2-(2-Ethoxyethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 55171673
3-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 62102937
6-Methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
CID 62565646
2,2,2-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 62733372
1-[2-(2-Butoxyethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279835
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310932) is 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is CCCCOCCNCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is QDDDOQWXOJNKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-2-3-10-21-11-8-18-7-9-19-12(14(15,16)17)5-4-6-13(19)20/h4-6,18H,2-3,7-11H2,1H3.
What are the key properties of 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 306.33 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).