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

C23H17F3N2O4 — CID 155464265

IUPACN-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cc(C3COC3)ccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-7-16(21(29)27-19)22(30)28-20-14-3-1-2-4-17(14)32-18-9-12(5-6-15(18)20)13-10-31-11-13/h1-9,13,20H,10-11H2,(H,27,29)(H,28,30)
InChIKeyGGTVWSJJMSWOAR-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.13
Rot. Bonds3

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

N-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464265) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464265
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC NameN-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cc(C3COC3)ccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-7-16(21(29)27-19)22(30)28-20-14-3-1-2-4-17(14)32-18-9-12(5-6-15(18)20)13-10-31-11-13/h1-9,13,20H,10-11H2,(H,27,29)(H,28,30)
InChIKeyGGTVWSJJMSWOAR-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-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464265) is N-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1c2ccccc2Oc2cc(C3COC3)ccc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GGTVWSJJMSWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c24-23(25,26)19-8-7-16(21(29)27-19)22(30)28-20-14-3-1-2-4-17(14)32-18-9-12(5-6-15(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-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[3-(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-[3-(oxetan-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).