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

C10H12IN3O2 — CID 114553358

IUPACN-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1ncc(I)cc1=O)C1CC1
InChIInChI=1S/C10H12IN3O2/c1-13(8-2-3-8)10(16)6-14-9(15)4-7(11)5-12-14/h4-5,8H,2-3,6H2,1H3
InChIKeyVPGZYNGHUSYXHZ-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.47
Rot. Bonds3

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

N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide (PubChem CID 114553358) 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)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide
PubChem CID114553358
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC NameN-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1ncc(I)cc1=O)C1CC1
InChIInChI=1S/C10H12IN3O2/c1-13(8-2-3-8)10(16)6-14-9(15)4-7(11)5-12-14/h4-5,8H,2-3,6H2,1H3
InChIKeyVPGZYNGHUSYXHZ-UHFFFAOYSA-N
XLogP0.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.47
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-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553350
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-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide (CID 114553358) is N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide is CN(C(=O)Cn1ncc(I)cc1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide?
The InChIKey is VPGZYNGHUSYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c1-13(8-2-3-8)10(16)6-14-9(15)4-7(11)5-12-14/h4-5,8H,2-3,6H2,1H3.
What are the key properties of N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide?
N-cyclopropyl-2-(4-iodo-6-oxopyridazin-1-yl)-N-methylacetamide has a molecular weight of 333.13 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 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)-N-methylacetamide is sourced from PubChem (CID 114553358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).