2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide

C21H22N4O3 — CID 113041108

IUPAC2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NCc2ccc(C)cc2)nn1
InChIInChI=1S/C21H22N4O3/c1-15-7-9-16(10-8-15)13-22-19-11-12-20(25-24-19)23-21(26)14-28-18-6-4-3-5-17(18)27-2/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyKCAXPDLCDBTBIJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.42
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide

2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide (PubChem CID 113041108) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
PubChem CID113041108
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NCc2ccc(C)cc2)nn1
InChIInChI=1S/C21H22N4O3/c1-15-7-9-16(10-8-15)13-22-19-11-12-20(25-24-19)23-21(26)14-28-18-6-4-3-5-17(18)27-2/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyKCAXPDLCDBTBIJ-UHFFFAOYSA-N
XLogP3.42
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042355
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
2-(2-methoxyphenoxy)-N-[6-(2,4,6-trimethylanilino)pyridazin-3-yl]acetamide
CID 113047016
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-(4-methylphenyl)propanamide
CID 60535941
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112978354
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide (CID 113041108) is 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide is COc1ccccc1OCC(=O)Nc1ccc(NCc2ccc(C)cc2)nn1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide?
The InChIKey is KCAXPDLCDBTBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-7-9-16(10-8-15)13-22-19-11-12-20(25-24-19)23-21(26)14-28-18-6-4-3-5-17(18)27-2/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of 2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide?
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.42, 8 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-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 113041108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).