N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C15H13F3N2O2 — CID 155606933

IUPACN-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H13F3N2O2/c1-10(20-14(21)11-5-4-8-19-9-11)12-6-2-3-7-13(12)22-15(16,17)18/h2-10H,1H3,(H,20,21)
InChIKeyZMPLCIMRPSZKII-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.47
Rot. Bonds4

About N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 155606933) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID155606933
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H13F3N2O2/c1-10(20-14(21)11-5-4-8-19-9-11)12-6-2-3-7-13(12)22-15(16,17)18/h2-10H,1H3,(H,20,21)
InChIKeyZMPLCIMRPSZKII-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(trifluoromethoxy)phenyl]ethyl]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

Related Compounds

N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
CID 43297891
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
CID 133220444
N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 75495399
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 100899430
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
2-methoxy-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 153406730
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 155606933) is N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is ZMPLCIMRPSZKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-10(20-14(21)11-5-4-8-19-9-11)12-6-2-3-7-13(12)22-15(16,17)18/h2-10H,1H3,(H,20,21).
What are the key properties of N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 155606933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).