N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide

C23H26F3N5O — CID 78828022

IUPACN-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCCN(C(=O)C(C)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1)c1ccccc1
InChIInChI=1S/C23H26F3N5O/c1-3-30(19-9-5-4-6-10-19)22(32)16(2)29-13-7-8-17(14-29)21-28-27-20-12-11-18(15-31(20)21)23(24,25)26/h4-6,9-12,15-17H,3,7-8,13-14H2,1-2H3
InChIKeyJGYRZFPPLXZDED-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.37
Rot. Bonds5

About N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide

N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 78828022) has the molecular formula C23H26F3N5O and a molecular weight of 445.49 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
PubChem CID78828022
Molecular FormulaC23H26F3N5O
Molecular Weight445.49 g/mol
Exact Mass445.21
IUPAC NameN-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCCN(C(=O)C(C)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1)c1ccccc1
InChIInChI=1S/C23H26F3N5O/c1-3-30(19-9-5-4-6-10-19)22(32)16(2)29-13-7-8-17(14-29)21-28-27-20-12-11-18(15-31(20)21)23(24,25)26/h4-6,9-12,15-17H,3,7-8,13-14H2,1-2H3
InChIKeyJGYRZFPPLXZDED-UHFFFAOYSA-N
XLogP4.37
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]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-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (CID 78828022) is N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is CCN(C(=O)C(C)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
The InChIKey is JGYRZFPPLXZDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O/c1-3-30(19-9-5-4-6-10-19)22(32)16(2)29-13-7-8-17(14-29)21-28-27-20-12-11-18(15-31(20)21)23(24,25)26/h4-6,9-12,15-17H,3,7-8,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?
N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 445.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 78828022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).