N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C15H12F4N2O2 — CID 39192446

IUPACN-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H12F4N2O2/c16-11-4-2-1-3-9(11)7-8-20-13(22)10-5-6-12(15(17,18)19)21-14(10)23/h1-6H,7-8H2,(H,20,22)(H,21,23)
InChIKeyPTFRADKMMILJJG-UHFFFAOYSA-N
MW328.26 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 39192446) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.26 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID39192446
Molecular FormulaC15H12F4N2O2
Molecular Weight328.26 g/mol
Exact Mass328.08
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C15H12F4N2O2/c16-11-4-2-1-3-9(11)7-8-20-13(22)10-5-6-12(15(17,18)19)21-14(10)23/h1-6H,7-8H2,(H,20,22)(H,21,23)
InChIKeyPTFRADKMMILJJG-UHFFFAOYSA-N
XLogP2.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 111825067
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'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide
CID 17441900
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106164652
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832022
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
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
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70767353
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 39192446) is N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCCc1ccccc1F)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PTFRADKMMILJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c16-11-4-2-1-3-9(11)7-8-20-13(22)10-5-6-12(15(17,18)19)21-14(10)23/h1-6H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 328.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 39192446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).