N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

C15H16Cl2N4O — CID 113050816

IUPACN-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C15H16Cl2N4O/c1-15(2,3)14(22)19-13-7-6-12(20-21-13)18-11-8-9(16)4-5-10(11)17/h4-8H,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyZIBXELHZBUDUHL-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.51
Rot. Bonds3

About N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113050816) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113050816
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C15H16Cl2N4O/c1-15(2,3)14(22)19-13-7-6-12(20-21-13)18-11-8-9(16)4-5-10(11)17/h4-8H,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyZIBXELHZBUDUHL-UHFFFAOYSA-N
XLogP4.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide 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-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
CID 113050834
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113046202
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047657
1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117331
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047956
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113041532

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113050816) is N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is ZIBXELHZBUDUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-15(2,3)14(22)19-13-7-6-12(20-21-13)18-11-8-9(16)4-5-10(11)17/h4-8H,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 339.23 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113050816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).