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

C10H12IN3O2 — CID 114553366

IUPACN-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NC1CC1)n1ncc(I)cc1=O
InChIInChI=1S/C10H12IN3O2/c1-6(10(16)13-8-2-3-8)14-9(15)4-7(11)5-12-14/h4-6,8H,2-3H2,1H3,(H,13,16)
InChIKeyFFRJNHZSLQFYPB-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.69
Rot. Bonds3

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

N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide (PubChem CID 114553366) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
PubChem CID114553366
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC NameN-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NC1CC1)n1ncc(I)cc1=O
InChIInChI=1S/C10H12IN3O2/c1-6(10(16)13-8-2-3-8)14-9(15)4-7(11)5-12-14/h4-6,8H,2-3H2,1H3,(H,13,16)
InChIKeyFFRJNHZSLQFYPB-UHFFFAOYSA-N
XLogP0.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-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

Related Compounds

N-isopropyl-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 45548738
2-[4-(Cyclopropylamino)-6-oxopyridazin-1-yl]acetamide
CID 84675948
2-(4-amino-6-oxopyridazin-1-yl)-N-cyclopropylacetamide
CID 103218211
N-cyclopropyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218488
N-cyclopropyl-N-methyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218641
N-cyclopropyl-N-ethyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218644
N-cyclopropyl-2-[4-(ethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218888
N-cyclopropyl-N-ethyl-2-[4-(ethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103219073
N-cyclopropyl-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219324
N-cyclopropyl-N-methyl-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219498
N-cyclopropyl-N-ethyl-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219501
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103219639

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide (CID 114553366) is N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide is CC(C(=O)NC1CC1)n1ncc(I)cc1=O.
What is the InChIKey of N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
The InChIKey is FFRJNHZSLQFYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c1-6(10(16)13-8-2-3-8)14-9(15)4-7(11)5-12-14/h4-6,8H,2-3H2,1H3,(H,13,16).
What are the key properties of N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide?
N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide has a molecular weight of 333.13 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 114553366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).