1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide

C24H22F4N2O4 — CID 163405143

IUPAC1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)(O)Cc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3OCC(F)(F)F)c2=O)cc1
InChIInChI=1S/C24H22F4N2O4/c1-23(2,33)13-15-5-8-17(9-6-15)29-21(31)18-4-3-11-30(22(18)32)19-10-7-16(25)12-20(19)34-14-24(26,27)28/h3-12,33H,13-14H2,1-2H3,(H,29,31)
InChIKeyBXELHVHZNVPSHD-UHFFFAOYSA-N
MW478.44 g/mol
LogP4.48
Rot. Bonds7

About 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide

1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 163405143) has the molecular formula C24H22F4N2O4 and a molecular weight of 478.44 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID163405143
Molecular FormulaC24H22F4N2O4
Molecular Weight478.44 g/mol
Exact Mass478.15
IUPAC Name1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)(O)Cc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3OCC(F)(F)F)c2=O)cc1
InChIInChI=1S/C24H22F4N2O4/c1-23(2,33)13-15-5-8-17(9-6-15)29-21(31)18-4-3-11-30(22(18)32)19-10-7-16(25)12-20(19)34-14-24(26,27)28/h3-12,33H,13-14H2,1-2H3,(H,29,31)
InChIKeyBXELHVHZNVPSHD-UHFFFAOYSA-N
XLogP4.48
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide (CID 163405143) is 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide is CC(C)(O)Cc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3OCC(F)(F)F)c2=O)cc1.
What is the InChIKey of 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BXELHVHZNVPSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O4/c1-23(2,33)13-15-5-8-17(9-6-15)29-21(31)18-4-3-11-30(22(18)32)19-10-7-16(25)12-20(19)34-14-24(26,27)28/h3-12,33H,13-14H2,1-2H3,(H,29,31).
What are the key properties of 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide?
1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 478.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-N-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 163405143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).