N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide

C11H11F3N2O4 — CID 84820489

IUPACN-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide
SMILESCOc1cc(NC(=O)CC(=O)C(F)(F)F)nc(OC)c1
InChIInChI=1S/C11H11F3N2O4/c1-19-6-3-8(16-10(4-6)20-2)15-9(18)5-7(17)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,16,18)
InChIKeyUVIPCTSKGPKTGE-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.56
Rot. Bonds5

About N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide

N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide (PubChem CID 84820489) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide
PubChem CID84820489
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC NameN-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide
SMILESCOc1cc(NC(=O)CC(=O)C(F)(F)F)nc(OC)c1
InChIInChI=1S/C11H11F3N2O4/c1-19-6-3-8(16-10(4-6)20-2)15-9(18)5-7(17)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,16,18)
InChIKeyUVIPCTSKGPKTGE-UHFFFAOYSA-N
XLogP1.56
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide?
The IUPAC name of N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide (CID 84820489) is N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide.
What is the SMILES notation for N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide?
The canonical SMILES for N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide is COc1cc(NC(=O)CC(=O)C(F)(F)F)nc(OC)c1.
What is the InChIKey of N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide?
The InChIKey is UVIPCTSKGPKTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-19-6-3-8(16-10(4-6)20-2)15-9(18)5-7(17)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,16,18).
What are the key properties of N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide?
N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide has a molecular weight of 292.21 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-2-pyridinyl)-4,4,4-trifluoro-3-oxobutanamide is sourced from PubChem (CID 84820489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).