1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide

C21H14F7N3O4 — CID 163405294

IUPAC1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O
InChIInChI=1S/C21H14F7N3O4/c22-12-3-5-15(16(8-12)34-10-20(23,24)25)31-7-1-2-14(19(31)33)18(32)30-13-4-6-17(29-9-13)35-11-21(26,27)28/h1-9H,10-11H2,(H,30,32)
InChIKeyNGUSQIAFZKAGKJ-UHFFFAOYSA-N
MW505.35 g/mol
LogP4.51
Rot. Bonds7

About 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide

1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 163405294) has the molecular formula C21H14F7N3O4 and a molecular weight of 505.35 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID163405294
Molecular FormulaC21H14F7N3O4
Molecular Weight505.35 g/mol
Exact Mass505.09
IUPAC Name1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O
InChIInChI=1S/C21H14F7N3O4/c22-12-3-5-15(16(8-12)34-10-20(23,24)25)31-7-1-2-14(19(31)33)18(32)30-13-4-6-17(29-9-13)35-11-21(26,27)28/h1-9H,10-11H2,(H,30,32)
InChIKeyNGUSQIAFZKAGKJ-UHFFFAOYSA-N
XLogP4.51
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 163405294) is 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O.
What is the InChIKey of 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is NGUSQIAFZKAGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F7N3O4/c22-12-3-5-15(16(8-12)34-10-20(23,24)25)31-7-1-2-14(19(31)33)18(32)30-13-4-6-17(29-9-13)35-11-21(26,27)28/h1-9H,10-11H2,(H,30,32).
What are the key properties of 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide?
1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 505.35 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 163405294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).