N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide

C11H11F3N2O4 — CID 47249052

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1COCCO1
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)6-3-7(9(17)15-4-6)16-10(18)8-5-19-1-2-20-8/h3-4,8H,1-2,5H2,(H,15,17)(H,16,18)
InChIKeySJXCPROXCMIAGC-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.75
Rot. Bonds2

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide (PubChem CID 47249052) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide
PubChem CID47249052
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1COCCO1
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)6-3-7(9(17)15-4-6)16-10(18)8-5-19-1-2-20-8/h3-4,8H,1-2,5H2,(H,15,17)(H,16,18)
InChIKeySJXCPROXCMIAGC-UHFFFAOYSA-N
XLogP0.75
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide (CID 47249052) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1COCCO1.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide?
The InChIKey is SJXCPROXCMIAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c12-11(13,14)6-3-7(9(17)15-4-6)16-10(18)8-5-19-1-2-20-8/h3-4,8H,1-2,5H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide has a molecular weight of 292.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 47249052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).