methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate

C11H11F3N2O4 — CID 60712519

IUPACmethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c1-5(10(19)20-2)15-8(17)6-3-4-7(11(12,13)14)16-9(6)18/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyBOPIIZCVADZQQC-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate

methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate (PubChem CID 60712519) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
PubChem CID60712519
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Namemethyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c1-5(10(19)20-2)15-8(17)6-3-4-7(11(12,13)14)16-9(6)18/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyBOPIIZCVADZQQC-UHFFFAOYSA-N
XLogP0.69
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate (CID 60712519) is methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate?
The InChIKey is BOPIIZCVADZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-5(10(19)20-2)15-8(17)6-3-4-7(11(12,13)14)16-9(6)18/h3-5H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate?
methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate has a molecular weight of 292.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 60712519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).