N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane

C16H17F3N2O2 — CID 155571822

IUPACN-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
SMILESCC.O=C(NCc1ccccc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H11F3N2O2.C2H6/c15-14(16,17)11-7-6-10(13(21)19-11)12(20)18-8-9-4-2-1-3-5-9;1-2/h1-7H,8H2,(H,18,20)(H,19,21);1-2H3
InChIKeyRAWYUNVFRIBTQW-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.35
Rot. Bonds3

About N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane

N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane (PubChem CID 155571822) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
PubChem CID155571822
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC NameN-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
SMILESCC.O=C(NCc1ccccc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H11F3N2O2.C2H6/c15-14(16,17)11-7-6-10(13(21)19-11)12(20)18-8-9-4-2-1-3-5-9;1-2/h1-7H,8H2,(H,18,20)(H,19,21);1-2H3
InChIKeyRAWYUNVFRIBTQW-UHFFFAOYSA-N
XLogP3.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane 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-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 111825067
2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60999454
N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119627243
N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
N-(9H-fluoren-9-ylmethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464804
N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39192446
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 80717407
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 110001816
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106164652
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 63294748

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane?
The IUPAC name of N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane (CID 155571822) is N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane.
What is the SMILES notation for N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane?
The canonical SMILES for N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane is CC.O=C(NCc1ccccc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane?
The InChIKey is RAWYUNVFRIBTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2.C2H6/c15-14(16,17)11-7-6-10(13(21)19-11)12(20)18-8-9-4-2-1-3-5-9;1-2/h1-7H,8H2,(H,18,20)(H,19,21);1-2H3.
What are the key properties of N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane?
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane has a molecular weight of 326.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane is sourced from PubChem (CID 155571822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).