N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide

C21H22N4O3 — CID 113042788

IUPACN-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)COc3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-9-7-16(8-10-17)13-14-22-19-11-12-20(25-24-19)23-21(26)15-28-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyNRMYPDDGPNUZLN-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.16
Rot. Bonds9

About N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide

N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide (PubChem CID 113042788) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
PubChem CID113042788
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
SMILESCOc1ccc(CCNc2ccc(NC(=O)COc3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-9-7-16(8-10-17)13-14-22-19-11-12-20(25-24-19)23-21(26)15-28-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyNRMYPDDGPNUZLN-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-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042664
2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042355
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide (CID 113042788) is N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide is COc1ccc(CCNc2ccc(NC(=O)COc3ccccc3)nn2)cc1.
What is the InChIKey of N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide?
The InChIKey is NRMYPDDGPNUZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-9-7-16(8-10-17)13-14-22-19-11-12-20(25-24-19)23-21(26)15-28-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide?
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide 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 N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 113042788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).