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

C20H20N4O3 — CID 113045737

IUPAC2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2cccc(C)c2)nn1
InChIInChI=1S/C20H20N4O3/c1-14-6-5-7-15(12-14)21-18-10-11-19(24-23-18)22-20(25)13-27-17-9-4-3-8-16(17)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyJEEKWWIZVPRYJL-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.55
Rot. Bonds7

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

2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide (PubChem CID 113045737) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
PubChem CID113045737
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2cccc(C)c2)nn1
InChIInChI=1S/C20H20N4O3/c1-14-6-5-7-15(12-14)21-18-10-11-19(24-23-18)22-20(25)13-27-17-9-4-3-8-16(17)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyJEEKWWIZVPRYJL-UHFFFAOYSA-N
XLogP3.55
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[6-(2,4,6-trimethylanilino)pyridazin-3-yl]acetamide
CID 113047016
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113017092
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041108
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032048
N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113018928
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046934
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113037188

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide (CID 113045737) is 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide is COc1ccccc1OCC(=O)Nc1ccc(Nc2cccc(C)c2)nn1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide?
The InChIKey is JEEKWWIZVPRYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-6-5-7-15(12-14)21-18-10-11-19(24-23-18)22-20(25)13-27-17-9-4-3-8-16(17)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide?
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113045737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).