1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide

C20H13F5N2O2 — CID 26844062

IUPAC1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2F)c1
InChIInChI=1S/C20H13F5N2O2/c21-16-4-2-1-3-12(16)10-27-11-13(5-8-18(27)28)19(29)26-14-6-7-17(22)15(9-14)20(23,24)25/h1-9,11H,10H2,(H,26,29)
InChIKeyVAUHZVRVHKEBHK-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.45
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 26844062) has the molecular formula C20H13F5N2O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
PubChem CID26844062
Molecular FormulaC20H13F5N2O2
Molecular Weight408.33 g/mol
Exact Mass408.09
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2F)c1
InChIInChI=1S/C20H13F5N2O2/c21-16-4-2-1-3-12(16)10-27-11-13(5-8-18(27)28)19(29)26-14-6-7-17(22)15(9-14)20(23,24)25/h1-9,11H,10H2,(H,26,29)
InChIKeyVAUHZVRVHKEBHK-UHFFFAOYSA-N
XLogP4.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698182
N-(2-ethylphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844020
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844026
1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 8671200
1-[(4-chlorophenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 3778980
1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843822
1-[(2-chlorophenyl)methyl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopyridine-3-carboxamide
CID 112845976
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484
N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843861
N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671496
1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8697710

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide (CID 26844062) is 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide?
The InChIKey is VAUHZVRVHKEBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O2/c21-16-4-2-1-3-12(16)10-27-11-13(5-8-18(27)28)19(29)26-14-6-7-17(22)15(9-14)20(23,24)25/h1-9,11H,10H2,(H,26,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide has a molecular weight of 408.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 26844062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).