2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide

C12H16I2N2O2 — CID 47101929

IUPAC2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C12H16I2N2O2/c1-3-8(4-2)15-11(17)7-16-5-9(13)12(18)10(14)6-16/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyIHPZEBQSSARZPN-UHFFFAOYSA-N
MW474.08 g/mol
LogP2.36
Rot. Bonds5

About 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide

2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide (PubChem CID 47101929) has the molecular formula C12H16I2N2O2 and a molecular weight of 474.08 g/mol. Its IUPAC name is 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
PubChem CID47101929
Molecular FormulaC12H16I2N2O2
Molecular Weight474.08 g/mol
Exact Mass473.93
IUPAC Name2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C12H16I2N2O2/c1-3-8(4-2)15-11(17)7-16-5-9(13)12(18)10(14)6-16/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyIHPZEBQSSARZPN-UHFFFAOYSA-N
XLogP2.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.08
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide
CID 46799043
4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid
CID 114038919
1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrole-3-carboxylic acid
CID 79103265
2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide
CID 116624308
2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
CID 165480854
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-pentan-3-ylacetamide
CID 2125233
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4844140
2-(3-amino-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 62102777
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 112778993
2-(2,4-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 63928923
2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide
CID 66404406
N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide
CID 47462998

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide (CID 47101929) is 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1cc(I)c(=O)c(I)c1.
What is the InChIKey of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide?
The InChIKey is IHPZEBQSSARZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16I2N2O2/c1-3-8(4-2)15-11(17)7-16-5-9(13)12(18)10(14)6-16/h5-6,8H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide?
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide has a molecular weight of 474.08 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 47101929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).