6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide

C16H14F4N2O2 — CID 58533769

IUPAC6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C(F)(F)F
InChIInChI=1S/C16H14F4N2O2/c1-10(16(18,19)20)22-15(23)11-5-6-13(21-8-11)9-24-14-4-2-3-12(17)7-14/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyOQJOYXAUPGIVOV-UHFFFAOYSA-N
MW342.29 g/mol
LogP3.48
Rot. Bonds5

About 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide

6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide (PubChem CID 58533769) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
PubChem CID58533769
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C(F)(F)F
InChIInChI=1S/C16H14F4N2O2/c1-10(16(18,19)20)22-15(23)11-5-6-13(21-8-11)9-24-14-4-2-3-12(17)7-14/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyOQJOYXAUPGIVOV-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 54674404
N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 58533707
6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 58368200
6-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide
CID 58533705
N-(2-bicyclo[2.2.1]heptanyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 161072866
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide
CID 58368162
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
CID 96547643
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
CID 86859541

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide (CID 58533769) is 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C(F)(F)F.
What is the InChIKey of 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide?
The InChIKey is OQJOYXAUPGIVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c1-10(16(18,19)20)22-15(23)11-5-6-13(21-8-11)9-24-14-4-2-3-12(17)7-14/h2-8,10H,9H2,1H3,(H,22,23).
What are the key properties of 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide?
6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide has a molecular weight of 342.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58533769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).