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

C7H8IN3O2 — CID 114553330

IUPAC2-(4-iodo-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(N)=O)n1ncc(I)cc1=O
InChIInChI=1S/C7H8IN3O2/c1-4(7(9)13)11-6(12)2-5(8)3-10-11/h2-4H,1H3,(H2,9,13)
InChIKeyJKFNFPMIVWPFTC-UHFFFAOYSA-N
MW293.06 g/mol
LogP-0.11
Rot. Bonds2

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

2-(4-iodo-6-oxopyridazin-1-yl)propanamide (PubChem CID 114553330) has the molecular formula C7H8IN3O2 and a molecular weight of 293.06 g/mol. Its IUPAC name is 2-(4-iodo-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-iodo-6-oxopyridazin-1-yl)propanamide
PubChem CID114553330
Molecular FormulaC7H8IN3O2
Molecular Weight293.06 g/mol
Exact Mass292.97
IUPAC Name2-(4-iodo-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(N)=O)n1ncc(I)cc1=O
InChIInChI=1S/C7H8IN3O2/c1-4(7(9)13)11-6(12)2-5(8)3-10-11/h2-4H,1H3,(H2,9,13)
InChIKeyJKFNFPMIVWPFTC-UHFFFAOYSA-N
XLogP-0.11
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-isopropyl-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 45548738
5-Iodo-2-propan-2-ylpyridazin-3-one
CID 114553312
2-(4-Amino-6-oxopyridazin-1-yl)propanamide
CID 103218189
2-(4-Methyl-6-oxopyridazin-1-yl)acetamide
CID 106548957
2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methylbutyl)propanamide
CID 113600116
2-(4-iodo-6-oxopyridazin-1-yl)-N-pentylpropanamide
CID 113600126
2-(4-iodo-6-oxopyridazin-1-yl)-N-pentan-3-ylpropanamide
CID 113600156
N-tert-butyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553322
2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide
CID 114553324
N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
CID 114553326
N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553337
2-(4-iodo-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)propanamide
CID 114553340

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)propanamide (CID 114553330) is 2-(4-iodo-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for 2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for 2-(4-iodo-6-oxopyridazin-1-yl)propanamide is CC(C(N)=O)n1ncc(I)cc1=O.
What is the InChIKey of 2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The InChIKey is JKFNFPMIVWPFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O2/c1-4(7(9)13)11-6(12)2-5(8)3-10-11/h2-4H,1H3,(H2,9,13).
What are the key properties of 2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
2-(4-iodo-6-oxopyridazin-1-yl)propanamide has a molecular weight of 293.06 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 114553330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).