N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide

C21H13F7N2O3 — CID 18560955

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccn(OCc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H13F7N2O3/c22-15-5-3-12(4-6-15)11-33-30-7-1-2-17(19(30)32)18(31)29-16-9-13(20(23,24)25)8-14(10-16)21(26,27)28/h1-10H,11H2,(H,29,31)
InChIKeyUOVCJBWJUXFMCL-UHFFFAOYSA-N
MW474.33 g/mol
LogP4.91
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide (PubChem CID 18560955) has the molecular formula C21H13F7N2O3 and a molecular weight of 474.33 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
PubChem CID18560955
Molecular FormulaC21H13F7N2O3
Molecular Weight474.33 g/mol
Exact Mass474.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccn(OCc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H13F7N2O3/c22-15-5-3-12(4-6-15)11-33-30-7-1-2-17(19(30)32)18(31)29-16-9-13(20(23,24)25)8-14(10-16)21(26,27)28/h1-10H,11H2,(H,29,31)
InChIKeyUOVCJBWJUXFMCL-UHFFFAOYSA-N
XLogP4.91
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.33
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide (CID 18560955) is N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccn(OCc2ccc(F)cc2)c1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The InChIKey is UOVCJBWJUXFMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F7N2O3/c22-15-5-3-12(4-6-15)11-33-30-7-1-2-17(19(30)32)18(31)29-16-9-13(20(23,24)25)8-14(10-16)21(26,27)28/h1-10H,11H2,(H,29,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide has a molecular weight of 474.33 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 18560955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).