1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one

C13H20F3N3O — CID 81320116

IUPAC1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCN(C)CCCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H20F3N3O/c1-18(2)9-4-7-17-8-10-19-11(13(14,15)16)5-3-6-12(19)20/h3,5-6,17H,4,7-10H2,1-2H3
InChIKeyHKJACXXNIJRPKK-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.41
Rot. Bonds7

About 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320116) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320116
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCN(C)CCCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H20F3N3O/c1-18(2)9-4-7-17-8-10-19-11(13(14,15)16)5-3-6-12(19)20/h3,5-6,17H,4,7-10H2,1-2H3
InChIKeyHKJACXXNIJRPKK-UHFFFAOYSA-N
XLogP1.41
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[3-(dimethylamino)propylamino]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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81320116) is 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one is CN(C)CCCNCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is HKJACXXNIJRPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-18(2)9-4-7-17-8-10-19-11(13(14,15)16)5-3-6-12(19)20/h3,5-6,17H,4,7-10H2,1-2H3.
What are the key properties of 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 291.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).