N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide

C15H14F3N3O — CID 145373033

IUPACN-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cncc(C)c2)nc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O/c1-3-13(22)20-12-5-4-11(21-14(12)15(16,17)18)10-6-9(2)7-19-8-10/h4-8H,3H2,1-2H3,(H,20,22)
InChIKeyCTBWDMPOHMXSLI-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.82
Rot. Bonds3

About N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide

N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 145373033) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID145373033
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cncc(C)c2)nc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O/c1-3-13(22)20-12-5-4-11(21-14(12)15(16,17)18)10-6-9(2)7-19-8-10/h4-8H,3H2,1-2H3,(H,20,22)
InChIKeyCTBWDMPOHMXSLI-UHFFFAOYSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide 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 N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide (CID 145373033) is N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(-c2cncc(C)c2)nc1C(F)(F)F.
What is the InChIKey of N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is CTBWDMPOHMXSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-3-13(22)20-12-5-4-11(21-14(12)15(16,17)18)10-6-9(2)7-19-8-10/h4-8H,3H2,1-2H3,(H,20,22).
What are the key properties of N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide?
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 309.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 145373033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).