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

C21H22N4O4 — CID 113048221

IUPAC2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
SMILESCOc1cccc(Nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)nn2)c1
InChIInChI=1S/C21H22N4O4/c1-27-16-6-4-5-15(13-16)22-19-9-10-20(25-24-19)23-21(26)12-14-7-8-17(28-2)18(11-14)29-3/h4-11,13H,12H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyHOMBZQVKTCMGJT-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.43
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide (PubChem CID 113048221) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
PubChem CID113048221
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
SMILESCOc1cccc(Nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)nn2)c1
InChIInChI=1S/C21H22N4O4/c1-27-16-6-4-5-15(13-16)22-19-9-10-20(25-24-19)23-21(26)12-14-7-8-17(28-2)18(11-14)29-3/h4-11,13H,12H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyHOMBZQVKTCMGJT-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048182
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048242
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113047933
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide (CID 113048221) is 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide is COc1cccc(Nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)nn2)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide?
The InChIKey is HOMBZQVKTCMGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-16-6-4-5-15(13-16)22-19-9-10-20(25-24-19)23-21(26)12-14-7-8-17(28-2)18(11-14)29-3/h4-11,13H,12H2,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113048221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).