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

C11H14IN3O2 — CID 114553350

IUPACN-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
SMILESCCN(C(=O)Cn1ncc(I)cc1=O)C1CC1
InChIInChI=1S/C11H14IN3O2/c1-2-14(9-3-4-9)11(17)7-15-10(16)5-8(12)6-13-15/h5-6,9H,2-4,7H2,1H3
InChIKeyPUEDDEVLGWLYOX-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.86
Rot. Bonds4

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

N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide (PubChem CID 114553350) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
PubChem CID114553350
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
SMILESCCN(C(=O)Cn1ncc(I)cc1=O)C1CC1
InChIInChI=1S/C11H14IN3O2/c1-2-14(9-3-4-9)11(17)7-15-10(16)5-8(12)6-13-15/h5-6,9H,2-4,7H2,1H3
InChIKeyPUEDDEVLGWLYOX-UHFFFAOYSA-N
XLogP0.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-(1-methylazetidin-3-yl)pyridazin-3-one
CID 170092839
2-Cyclopropyl-5-iodopyridazin-3-one
CID 176240277
5-Iodo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 113600131
2-Butan-2-yl-5-iodopyridazin-3-one
CID 114553310
2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide
CID 114553324
2-(4-Iodo-6-oxopyridazin-1-yl)propanamide
CID 114553330
2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide
CID 114553343
N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide
CID 114553358
N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
CID 114553366
2-[2-(Dimethylamino)ethyl]-5-iodopyridazin-3-one
CID 114553369
2-(4-iodo-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 114553376
5-Iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one
CID 114553384

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide (CID 114553350) is N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide is CCN(C(=O)Cn1ncc(I)cc1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
The InChIKey is PUEDDEVLGWLYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-2-14(9-3-4-9)11(17)7-15-10(16)5-8(12)6-13-15/h5-6,9H,2-4,7H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide?
N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide has a molecular weight of 347.16 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 114553350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).