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

C11H11F3N2O3 — CID 47444199

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCOC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-3-8(10(18)15-4-7)16-9(17)6-1-2-19-5-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,17)
InChIKeyVRPNEFHJHTURCG-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.37
Rot. Bonds2

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

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide (PubChem CID 47444199) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide
PubChem CID47444199
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCOC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-3-8(10(18)15-4-7)16-9(17)6-1-2-19-5-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,17)
InChIKeyVRPNEFHJHTURCG-UHFFFAOYSA-N
XLogP1.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide (CID 47444199) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCOC1.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide?
The InChIKey is VRPNEFHJHTURCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)7-3-8(10(18)15-4-7)16-9(17)6-1-2-19-5-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide has a molecular weight of 276.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 47444199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).