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

C21H22N4O3 — CID 113042355

IUPAC2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NCCc2ccccc2)nn1
InChIInChI=1S/C21H22N4O3/c1-27-17-9-5-6-10-18(17)28-15-21(26)23-20-12-11-19(24-25-20)22-14-13-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyFRAFGSFHDICLKM-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.16
Rot. Bonds9

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

2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide (PubChem CID 113042355) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
PubChem CID113042355
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NCCc2ccccc2)nn1
InChIInChI=1S/C21H22N4O3/c1-27-17-9-5-6-10-18(17)28-15-21(26)23-20-12-11-19(24-25-20)22-14-13-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyFRAFGSFHDICLKM-UHFFFAOYSA-N
XLogP3.16
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042664
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042788
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041108
N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043306
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113042675
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
2-(2-methoxyphenoxy)-N-[6-(2,4,6-trimethylanilino)pyridazin-3-yl]acetamide
CID 113047016
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046934
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide (CID 113042355) is 2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide is COc1ccccc1OCC(=O)Nc1ccc(NCCc2ccccc2)nn1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide?
The InChIKey is FRAFGSFHDICLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-9-5-6-10-18(17)28-15-21(26)23-20-12-11-19(24-25-20)22-14-13-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of 2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide?
2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.16, 9 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-(2-phenylethylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113042355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).