4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

C23H22F3N3O3 — CID 90302499

IUPAC4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCn1ccc(NC(=O)c2ccc(C(C)(C)C)cc2Oc2ccc(C(F)(F)F)nc2)cc1=O
InChIInChI=1S/C23H22F3N3O3/c1-22(2,3)14-5-7-17(21(31)28-15-9-10-29(4)20(30)12-15)18(11-14)32-16-6-8-19(27-13-16)23(24,25)26/h5-13H,1-4H3,(H,28,31)
InChIKeyQUPOUNZWMBLXGJ-UHFFFAOYSA-N
MW445.44 g/mol
LogP5.14
Rot. Bonds4

About 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (PubChem CID 90302499) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
PubChem CID90302499
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCn1ccc(NC(=O)c2ccc(C(C)(C)C)cc2Oc2ccc(C(F)(F)F)nc2)cc1=O
InChIInChI=1S/C23H22F3N3O3/c1-22(2,3)14-5-7-17(21(31)28-15-9-10-29(4)20(30)12-15)18(11-14)32-16-6-8-19(27-13-16)23(24,25)26/h5-13H,1-4H3,(H,28,31)
InChIKeyQUPOUNZWMBLXGJ-UHFFFAOYSA-N
XLogP5.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The IUPAC name of 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (CID 90302499) is 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is Cn1ccc(NC(=O)c2ccc(C(C)(C)C)cc2Oc2ccc(C(F)(F)F)nc2)cc1=O.
What is the InChIKey of 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The InChIKey is QUPOUNZWMBLXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-22(2,3)14-5-7-17(21(31)28-15-9-10-29(4)20(30)12-15)18(11-14)32-16-6-8-19(27-13-16)23(24,25)26/h5-13H,1-4H3,(H,28,31).
What are the key properties of 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide has a molecular weight of 445.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 90302499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).