N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H17F3N2O4 — CID 155464264

IUPACN-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2ccc(C3COC3)cc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-6-15(21(29)27-19)22(30)28-20-14-3-1-2-4-17(14)32-18-7-5-12(9-16(18)20)13-10-31-11-13/h1-9,13,20H,10-11H2,(H,27,29)(H,28,30)
InChIKeySUFIQTKTUZFTEG-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.13
Rot. Bonds3

About N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464264) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464264
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC NameN-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2ccc(C3COC3)cc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-6-15(21(29)27-19)22(30)28-20-14-3-1-2-4-17(14)32-18-7-5-12(9-16(18)20)13-10-31-11-13/h1-9,13,20H,10-11H2,(H,27,29)(H,28,30)
InChIKeySUFIQTKTUZFTEG-UHFFFAOYSA-N
XLogP4.13
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464264) is N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1c2ccccc2Oc2ccc(C3COC3)cc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SUFIQTKTUZFTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-6-15(21(29)27-19)22(30)28-20-14-3-1-2-4-17(14)32-18-7-5-12(9-16(18)20)13-10-31-11-13/h1-9,13,20H,10-11H2,(H,27,29)(H,28,30).
What are the key properties of N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 442.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).