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

C8H9IN4O3 — CID 114553326

IUPACN-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)n1ncc(I)cc1=O
InChIInChI=1S/C8H9IN4O3/c1-4(7(15)12-8(10)16)13-6(14)2-5(9)3-11-13/h2-4H,1H3,(H3,10,12,15,16)
InChIKeyREMYXJKJEQKWGO-UHFFFAOYSA-N
MW336.09 g/mol
LogP-0.40
Rot. Bonds2

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

N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide (PubChem CID 114553326) has the molecular formula C8H9IN4O3 and a molecular weight of 336.09 g/mol. Its IUPAC name is N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
PubChem CID114553326
Molecular FormulaC8H9IN4O3
Molecular Weight336.09 g/mol
Exact Mass335.97
IUPAC NameN-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)n1ncc(I)cc1=O
InChIInChI=1S/C8H9IN4O3/c1-4(7(15)12-8(10)16)13-6(14)2-5(9)3-11-13/h2-4H,1H3,(H3,10,12,15,16)
InChIKeyREMYXJKJEQKWGO-UHFFFAOYSA-N
XLogP-0.40
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.09
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)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 N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide (CID 114553326) is N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide is CC(C(=O)NC(N)=O)n1ncc(I)cc1=O.
What is the InChIKey of N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The InChIKey is REMYXJKJEQKWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4O3/c1-4(7(15)12-8(10)16)13-6(14)2-5(9)3-11-13/h2-4H,1H3,(H3,10,12,15,16).
What are the key properties of N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide has a molecular weight of 336.09 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 114553326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).