2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide

C8H10IN3O2 — CID 114553324

IUPAC2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1ncc(I)cc1=O
InChIInChI=1S/C8H10IN3O2/c1-5(8(14)10-2)12-7(13)3-6(9)4-11-12/h3-5H,1-2H3,(H,10,14)
InChIKeyHHNQZKGFBYNLNZ-UHFFFAOYSA-N
MW307.09 g/mol
LogP0.15
Rot. Bonds2

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

2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide (PubChem CID 114553324) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is 2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide
PubChem CID114553324
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC Name2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1ncc(I)cc1=O
InChIInChI=1S/C8H10IN3O2/c1-5(8(14)10-2)12-7(13)3-6(9)4-11-12/h3-5H,1-2H3,(H,10,14)
InChIKeyHHNQZKGFBYNLNZ-UHFFFAOYSA-N
XLogP0.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 50.15
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

2-(4-iodo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114553558
N-isopropyl-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 45548738
N-ethyl-2-(6-oxopyridazin-1-yl)acetamide
CID 131201227
2-(6-oxopyridazin-1(6H)-yl)-N-propylacetamide
CID 45548818
2-(6-oxopyridazin-1(6H)-yl)-N-(3-(6-oxopyridazin-1(6H)-yl)propyl)propanamide
CID 45548928
2-[2-(Methylamino)propyl]pyridazin-3-one
CID 62849246
2-[2-(Ethylamino)propyl]pyridazin-3-one
CID 62849773
2-(4-amino-6-oxopyridazin-1-yl)-N-propylacetamide
CID 103218215
2-(4-amino-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
CID 103218318
2-(4-amino-6-oxopyridazin-1-yl)-N-butan-2-ylacetamide
CID 103218347
2-[4-(Methylamino)-6-oxopyridazin-1-yl]propanamide
CID 103218468
2-[4-(Methylamino)-6-oxopyridazin-1-yl]butanamide
CID 103218538

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide?
The IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide (CID 114553324) is 2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide?
The canonical SMILES for 2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide is CNC(=O)C(C)n1ncc(I)cc1=O.
What is the InChIKey of 2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide?
The InChIKey is HHNQZKGFBYNLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c1-5(8(14)10-2)12-7(13)3-6(9)4-11-12/h3-5H,1-2H3,(H,10,14).
What are the key properties of 2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide?
2-(4-iodo-6-oxopyridazin-1-yl)-N-methylpropanamide has a molecular weight of 307.09 g/mol, XLogP of 0.15, 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)-N-methylpropanamide is sourced from PubChem (CID 114553324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).