2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide

C11H16IN3O3 — CID 114553340

IUPAC2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)n1ncc(I)cc1=O
InChIInChI=1S/C11H16IN3O3/c1-8(11(17)13-4-3-5-18-2)15-10(16)6-9(12)7-14-15/h6-8H,3-5H2,1-2H3,(H,13,17)
InChIKeyINBIWXZOMOGBQC-UHFFFAOYSA-N
MW365.17 g/mol
LogP0.56
Rot. Bonds6

About 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide

2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 114553340) has the molecular formula C11H16IN3O3 and a molecular weight of 365.17 g/mol. Its IUPAC name is 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide
PubChem CID114553340
Molecular FormulaC11H16IN3O3
Molecular Weight365.17 g/mol
Exact Mass365.02
IUPAC Name2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)n1ncc(I)cc1=O
InChIInChI=1S/C11H16IN3O3/c1-8(11(17)13-4-3-5-18-2)15-10(16)6-9(12)7-14-15/h6-8H,3-5H2,1-2H3,(H,13,17)
InChIKeyINBIWXZOMOGBQC-UHFFFAOYSA-N
XLogP0.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 50.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide (CID 114553340) is 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)n1ncc(I)cc1=O.
What is the InChIKey of 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is INBIWXZOMOGBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O3/c1-8(11(17)13-4-3-5-18-2)15-10(16)6-9(12)7-14-15/h6-8H,3-5H2,1-2H3,(H,13,17).
What are the key properties of 2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide?
2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 365.17 g/mol, XLogP of 0.56, 6 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-(3-methoxypropyl)propanamide is sourced from PubChem (CID 114553340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).