2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide

C11H14I2N2O3 — CID 46799043

IUPAC2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C11H14I2N2O3/c1-7(6-18-2)14-10(16)5-15-3-8(12)11(17)9(13)4-15/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyWSZMCNQKAIHVNA-UHFFFAOYSA-N
MW476.05 g/mol
LogP1.21
Rot. Bonds5

About 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide

2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 46799043) has the molecular formula C11H14I2N2O3 and a molecular weight of 476.05 g/mol. Its IUPAC name is 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID46799043
Molecular FormulaC11H14I2N2O3
Molecular Weight476.05 g/mol
Exact Mass475.91
IUPAC Name2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C11H14I2N2O3/c1-7(6-18-2)14-10(16)5-15-3-8(12)11(17)9(13)4-15/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyWSZMCNQKAIHVNA-UHFFFAOYSA-N
XLogP1.21
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.05
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide (CID 46799043) is 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cn1cc(I)c(=O)c(I)c1.
What is the InChIKey of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is WSZMCNQKAIHVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14I2N2O3/c1-7(6-18-2)14-10(16)5-15-3-8(12)11(17)9(13)4-15/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide?
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 476.05 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 46799043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).