2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide

C22H24N4O3 — CID 113046587

IUPAC2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc(C)c3C)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-6-5-7-17(15(14)2)23-20-10-11-21(26-25-20)24-22(27)13-16-8-9-18(28-3)19(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26,27)
InChIKeySAJRYTHKZCLWJF-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.04
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide (PubChem CID 113046587) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
PubChem CID113046587
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc(C)c3C)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-6-5-7-17(15(14)2)23-20-10-11-21(26-25-20)24-22(27)13-16-8-9-18(28-3)19(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26,27)
InChIKeySAJRYTHKZCLWJF-UHFFFAOYSA-N
XLogP4.04
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
CID 113032344
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113046581
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113048579
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968949
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285896
N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 108985884
3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
CID 26660572
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide (CID 113046587) is 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3cccc(C)c3C)nn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide?
The InChIKey is SAJRYTHKZCLWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-6-5-7-17(15(14)2)23-20-10-11-21(26-25-20)24-22(27)13-16-8-9-18(28-3)19(12-16)29-4/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113046587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).