2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide

C11H13F3N2O3 — CID 47456165

IUPAC2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide
SMILESCC(COCC(F)(F)F)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-7(5-19-6-11(12,13)14)16-10(18)8-3-2-4-15-9(8)17/h2-4,7H,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyGEYDLOKMTZLOAX-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.07
Rot. Bonds5

About 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide

2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 47456165) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide
PubChem CID47456165
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide
SMILESCC(COCC(F)(F)F)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H13F3N2O3/c1-7(5-19-6-11(12,13)14)16-10(18)8-3-2-4-15-9(8)17/h2-4,7H,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyGEYDLOKMTZLOAX-UHFFFAOYSA-N
XLogP1.07
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide (CID 47456165) is 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide is CC(COCC(F)(F)F)NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide?
The InChIKey is GEYDLOKMTZLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7(5-19-6-11(12,13)14)16-10(18)8-3-2-4-15-9(8)17/h2-4,7H,5-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide?
2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47456165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).