N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide

C16H15F3N2O3 — CID 135067610

IUPACN-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESCOc1cccc(OCC(F)(F)F)c1CNC(=O)c1ccccn1
InChIInChI=1S/C16H15F3N2O3/c1-23-13-6-4-7-14(24-10-16(17,18)19)11(13)9-21-15(22)12-5-2-3-8-20-12/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyYQWBHIWARIKNJG-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.96
Rot. Bonds6

About N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide

N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 135067610) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide
PubChem CID135067610
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESCOc1cccc(OCC(F)(F)F)c1CNC(=O)c1ccccn1
InChIInChI=1S/C16H15F3N2O3/c1-23-13-6-4-7-14(24-10-16(17,18)19)11(13)9-21-15(22)12-5-2-3-8-20-12/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyYQWBHIWARIKNJG-UHFFFAOYSA-N
XLogP2.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-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-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide (CID 135067610) is N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide is COc1cccc(OCC(F)(F)F)c1CNC(=O)c1ccccn1.
What is the InChIKey of N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is YQWBHIWARIKNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-23-13-6-4-7-14(24-10-16(17,18)19)11(13)9-21-15(22)12-5-2-3-8-20-12/h2-8H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide?
N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135067610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).