1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

C15H23F3N2O — CID 81309402

IUPAC1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C
InChIInChI=1S/C15H23F3N2O/c1-5-9-19-11(14(2,3)4)10-20-12(15(16,17)18)7-6-8-13(20)21/h6-8,11,19H,5,9-10H2,1-4H3
InChIKeyMVIGFNPNWWESOM-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.28
Rot. Bonds5

About 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81309402) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81309402
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C
InChIInChI=1S/C15H23F3N2O/c1-5-9-19-11(14(2,3)4)10-20-12(15(16,17)18)7-6-8-13(20)21/h6-8,11,19H,5,9-10H2,1-4H3
InChIKeyMVIGFNPNWWESOM-UHFFFAOYSA-N
XLogP3.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3,3-dimethyl-2-(propylamino)butyl]-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-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (CID 81309402) is 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is CCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C.
What is the InChIKey of 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is MVIGFNPNWWESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-5-9-19-11(14(2,3)4)10-20-12(15(16,17)18)7-6-8-13(20)21/h6-8,11,19H,5,9-10H2,1-4H3.
What are the key properties of 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-(propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81309402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).