2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide

C12H13F3N2O2 — CID 119038206

IUPAC2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1ccc(C(F)(F)F)cc1=O
InChIInChI=1S/C12H13F3N2O2/c1-3-5-16-11(19)8(2)17-6-4-9(7-10(17)18)12(13,14)15/h3-4,6-8H,1,5H2,2H3,(H,16,19)
InChIKeyCFUMKVSCKQRYBE-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.73
Rot. Bonds4

About 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide

2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide (PubChem CID 119038206) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide
PubChem CID119038206
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1ccc(C(F)(F)F)cc1=O
InChIInChI=1S/C12H13F3N2O2/c1-3-5-16-11(19)8(2)17-6-4-9(7-10(17)18)12(13,14)15/h3-4,6-8H,1,5H2,2H3,(H,16,19)
InChIKeyCFUMKVSCKQRYBE-UHFFFAOYSA-N
XLogP1.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide (CID 119038206) is 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)n1ccc(C(F)(F)F)cc1=O.
What is the InChIKey of 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide?
The InChIKey is CFUMKVSCKQRYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-3-5-16-11(19)8(2)17-6-4-9(7-10(17)18)12(13,14)15/h3-4,6-8H,1,5H2,2H3,(H,16,19).
What are the key properties of 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide?
2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide has a molecular weight of 274.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 119038206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).