2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide

C12H12F3N3O3 — CID 2633444

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H12F3N3O3/c1-2-5-16-11(21)17-9(19)7-18-6-8(12(13,14)15)3-4-10(18)20/h2-4,6H,1,5,7H2,(H2,16,17,19,21)
InChIKeyJGDFKRSGYZBRCT-UHFFFAOYSA-N
MW303.24 g/mol
LogP0.88
Rot. Bonds4

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 2633444) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID2633444
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H12F3N3O3/c1-2-5-16-11(21)17-9(19)7-18-6-8(12(13,14)15)3-4-10(18)20/h2-4,6H,1,5,7H2,(H2,16,17,19,21)
InChIKeyJGDFKRSGYZBRCT-UHFFFAOYSA-N
XLogP0.88
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide (CID 2633444) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is JGDFKRSGYZBRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c1-2-5-16-11(21)17-9(19)7-18-6-8(12(13,14)15)3-4-10(18)20/h2-4,6H,1,5,7H2,(H2,16,17,19,21).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 303.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 2633444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).