N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide

C20H15F3N2O2 — CID 22160632

IUPACN-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccc(OC(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)27-17-7-5-14(6-8-17)13-16-3-1-2-4-18(16)25-19(26)15-9-11-24-12-10-15/h1-12H,13H2,(H,25,26)
InChIKeyLEFKIEVFFLMZNG-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.82
Rot. Bonds5

About N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide

N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 22160632) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide
PubChem CID22160632
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC NameN-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccc(OC(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)27-17-7-5-14(6-8-17)13-16-3-1-2-4-18(16)25-19(26)15-9-11-24-12-10-15/h1-12H,13H2,(H,25,26)
InChIKeyLEFKIEVFFLMZNG-UHFFFAOYSA-N
XLogP4.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-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-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide (CID 22160632) is N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide is O=C(Nc1ccccc1Cc1ccc(OC(F)(F)F)cc1)c1ccncc1.
What is the InChIKey of N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is LEFKIEVFFLMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)27-17-7-5-14(6-8-17)13-16-3-1-2-4-18(16)25-19(26)15-9-11-24-12-10-15/h1-12H,13H2,(H,25,26).
What are the key properties of N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide?
N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 22160632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).