2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide

C20H20N4O2 — CID 113045943

IUPAC2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N(C)c3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-24(16-6-4-3-5-7-16)19-13-12-18(22-23-19)21-20(25)14-15-8-10-17(26-2)11-9-15/h3-13H,14H2,1-2H3,(H,21,22,25)
InChIKeyLIAGWPNHWNZBKN-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide

2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide (PubChem CID 113045943) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide
PubChem CID113045943
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N(C)c3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-24(16-6-4-3-5-7-16)19-13-12-18(22-23-19)21-20(25)14-15-8-10-17(26-2)11-9-15/h3-13H,14H2,1-2H3,(H,21,22,25)
InChIKeyLIAGWPNHWNZBKN-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113051425
N-[5-[benzyl(methyl)amino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113026912
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
2-(4-methoxyphenyl)-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113040895
N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113046832
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113040667
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide (CID 113045943) is 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccc(N(C)c3ccccc3)nn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide?
The InChIKey is LIAGWPNHWNZBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(16-6-4-3-5-7-16)19-13-12-18(22-23-19)21-20(25)14-15-8-10-17(26-2)11-9-15/h3-13H,14H2,1-2H3,(H,21,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113045943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).