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

C10H14IN3O2 — CID 114553343

IUPAC2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1ncc(I)cc1=O
InChIInChI=1S/C10H14IN3O2/c1-3-4-12-10(16)7(2)14-9(15)5-8(11)6-13-14/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyGTKDRNHDIWFDOQ-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.94
Rot. Bonds4

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

2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide (PubChem CID 114553343) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide
PubChem CID114553343
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1ncc(I)cc1=O
InChIInChI=1S/C10H14IN3O2/c1-3-4-12-10(16)7(2)14-9(15)5-8(11)6-13-14/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyGTKDRNHDIWFDOQ-UHFFFAOYSA-N
XLogP0.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.94
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-propylpropanamide?
The IUPAC name of 2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide (CID 114553343) is 2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1ncc(I)cc1=O.
What is the InChIKey of 2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide?
The InChIKey is GTKDRNHDIWFDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-3-4-12-10(16)7(2)14-9(15)5-8(11)6-13-14/h5-7H,3-4H2,1-2H3,(H,12,16).
What are the key properties of 2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide?
2-(4-iodo-6-oxopyridazin-1-yl)-N-propylpropanamide has a molecular weight of 335.15 g/mol, XLogP of 0.94, 4 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-propylpropanamide is sourced from PubChem (CID 114553343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).