1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H14F4N2O3 — CID 7189972

IUPAC1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccn(OCc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H14F4N2O3/c21-14-9-7-13(8-10-14)12-29-26-11-3-4-15(19(26)28)18(27)25-17-6-2-1-5-16(17)20(22,23)24/h1-11H,12H2,(H,25,27)
InChIKeyMMKVCDLXJSNAIM-UHFFFAOYSA-N
MW406.34 g/mol
LogP3.89
Rot. Bonds5

About 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 7189972) has the molecular formula C20H14F4N2O3 and a molecular weight of 406.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID7189972
Molecular FormulaC20H14F4N2O3
Molecular Weight406.34 g/mol
Exact Mass406.09
IUPAC Name1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccn(OCc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H14F4N2O3/c21-14-9-7-13(8-10-14)12-29-26-11-3-4-15(19(26)28)18(27)25-17-6-2-1-5-16(17)20(22,23)24/h1-11H,12H2,(H,25,27)
InChIKeyMMKVCDLXJSNAIM-UHFFFAOYSA-N
XLogP3.89
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 7189972) is 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cccn(OCc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is MMKVCDLXJSNAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O3/c21-14-9-7-13(8-10-14)12-29-26-11-3-4-15(19(26)28)18(27)25-17-6-2-1-5-16(17)20(22,23)24/h1-11H,12H2,(H,25,27).
What are the key properties of 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7189972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).