N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

C21H22N4O4 — CID 113048769

IUPACN-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(OC)c(Nc2ccc(NC(=O)COc3ccc(C)cc3)nn2)c1
InChIInChI=1S/C21H22N4O4/c1-14-4-6-15(7-5-14)29-13-21(26)23-20-11-10-19(24-25-20)22-17-12-16(27-2)8-9-18(17)28-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyQFNOIJDOMGUOGI-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.56
Rot. Bonds8

About N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 113048769) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID113048769
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(OC)c(Nc2ccc(NC(=O)COc3ccc(C)cc3)nn2)c1
InChIInChI=1S/C21H22N4O4/c1-14-4-6-15(7-5-14)29-13-21(26)23-20-11-10-19(24-25-20)22-17-12-16(27-2)8-9-18(17)28-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyQFNOIJDOMGUOGI-UHFFFAOYSA-N
XLogP3.56
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide 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-[4-(2,5-dimethoxyanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112987885
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
CID 113019773
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113048755
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
6-(2,5-dimethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124457

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (CID 113048769) is N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is COc1ccc(OC)c(Nc2ccc(NC(=O)COc3ccc(C)cc3)nn2)c1.
What is the InChIKey of N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is QFNOIJDOMGUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-4-6-15(7-5-14)29-13-21(26)23-20-11-10-19(24-25-20)22-17-12-16(27-2)8-9-18(17)28-3/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113048769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).