2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide

C10H14IN3O3 — CID 114553428

IUPAC2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1ncc(I)cc1=O
InChIInChI=1S/C10H14IN3O3/c1-7(10(16)12-3-4-17-2)14-9(15)5-8(11)6-13-14/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyQDNRQMPJODWBDI-UHFFFAOYSA-N
MW351.14 g/mol
LogP0.17
Rot. Bonds5

About 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide

2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 114553428) has the molecular formula C10H14IN3O3 and a molecular weight of 351.14 g/mol. Its IUPAC name is 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide
PubChem CID114553428
Molecular FormulaC10H14IN3O3
Molecular Weight351.14 g/mol
Exact Mass351.01
IUPAC Name2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1ncc(I)cc1=O
InChIInChI=1S/C10H14IN3O3/c1-7(10(16)12-3-4-17-2)14-9(15)5-8(11)6-13-14/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyQDNRQMPJODWBDI-UHFFFAOYSA-N
XLogP0.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide (CID 114553428) is 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)n1ncc(I)cc1=O.
What is the InChIKey of 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is QDNRQMPJODWBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O3/c1-7(10(16)12-3-4-17-2)14-9(15)5-8(11)6-13-14/h5-7H,3-4H2,1-2H3,(H,12,16).
What are the key properties of 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide?
2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 351.14 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114553428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).