N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide

C11H11I2N3O2 — CID 47462998

IUPACN-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide
SMILESCCN(CC#N)C(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C11H11I2N3O2/c1-2-16(4-3-14)10(17)7-15-5-8(12)11(18)9(13)6-15/h5-6H,2,4,7H2,1H3
InChIKeyLCXDLTGNSHENKT-UHFFFAOYSA-N
MW471.04 g/mol
LogP1.43
Rot. Bonds4

About N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide

N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide (PubChem CID 47462998) has the molecular formula C11H11I2N3O2 and a molecular weight of 471.04 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide
PubChem CID47462998
Molecular FormulaC11H11I2N3O2
Molecular Weight471.04 g/mol
Exact Mass470.89
IUPAC NameN-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide
SMILESCCN(CC#N)C(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C11H11I2N3O2/c1-2-16(4-3-14)10(17)7-15-5-8(12)11(18)9(13)6-15/h5-6H,2,4,7H2,1H3
InChIKeyLCXDLTGNSHENKT-UHFFFAOYSA-N
XLogP1.43
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.04
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide (CID 47462998) is N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide is CCN(CC#N)C(=O)Cn1cc(I)c(=O)c(I)c1.
What is the InChIKey of N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide?
The InChIKey is LCXDLTGNSHENKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I2N3O2/c1-2-16(4-3-14)10(17)7-15-5-8(12)11(18)9(13)6-15/h5-6H,2,4,7H2,1H3.
What are the key properties of N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide?
N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide has a molecular weight of 471.04 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-ethylacetamide is sourced from PubChem (CID 47462998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).