2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide

C13H17F3N2O2 — CID 72907442

IUPAC2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(C)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C13H17F3N2O2/c1-4-5-17-12(20)9(3)18-8(2)6-10(7-11(18)19)13(14,15)16/h6-7,9H,4-5H2,1-3H3,(H,17,20)
InChIKeyYJFIMEYIWBSORZ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.26
Rot. Bonds4

About 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide

2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide (PubChem CID 72907442) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide
PubChem CID72907442
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(C)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C13H17F3N2O2/c1-4-5-17-12(20)9(3)18-8(2)6-10(7-11(18)19)13(14,15)16/h6-7,9H,4-5H2,1-3H3,(H,17,20)
InChIKeyYJFIMEYIWBSORZ-UHFFFAOYSA-N
XLogP2.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide 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 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide?
The IUPAC name of 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide (CID 72907442) is 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide.
What is the SMILES notation for 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide?
The canonical SMILES for 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide is CCCNC(=O)C(C)n1c(C)cc(C(F)(F)F)cc1=O.
What is the InChIKey of 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide?
The InChIKey is YJFIMEYIWBSORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-4-5-17-12(20)9(3)18-8(2)6-10(7-11(18)19)13(14,15)16/h6-7,9H,4-5H2,1-3H3,(H,17,20).
What are the key properties of 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide?
2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide has a molecular weight of 290.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-propylpropanamide is sourced from PubChem (CID 72907442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).