N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C23H21F3N2O2 — CID 45487797

IUPACN-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)16-30-21-12-11-19(15-28-21)22(29)27-14-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,27,29)
InChIKeyZATALYYKPYBDOS-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.97
Rot. Bonds8

About N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 45487797) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID45487797
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)16-30-21-12-11-19(15-28-21)22(29)27-14-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,27,29)
InChIKeyZATALYYKPYBDOS-UHFFFAOYSA-N
XLogP4.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide 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-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 45487797) is N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ZATALYYKPYBDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-23(25,26)16-30-21-12-11-19(15-28-21)22(29)27-14-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,27,29).
What are the key properties of N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 45487797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).