2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

C23H21N5O3 — CID 122306741

IUPAC2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(Oc2ccc(-n3ccnc3C)nn2)cc1
InChIInChI=1S/C23H21N5O3/c1-16-24-13-14-28(16)21-11-12-23(27-26-21)31-19-9-7-18(8-10-19)25-22(29)15-17-5-3-4-6-20(17)30-2/h3-14H,15H2,1-2H3,(H,25,29)
InChIKeyAIQGEJWOSWZATQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.95
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (PubChem CID 122306741) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
PubChem CID122306741
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(Oc2ccc(-n3ccnc3C)nn2)cc1
InChIInChI=1S/C23H21N5O3/c1-16-24-13-14-28(16)21-11-12-23(27-26-21)31-19-9-7-18(8-10-19)25-22(29)15-17-5-3-4-6-20(17)30-2/h3-14H,15H2,1-2H3,(H,25,29)
InChIKeyAIQGEJWOSWZATQ-UHFFFAOYSA-N
XLogP3.95
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 122306694
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methylphenyl)acetamide
CID 122306699
2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306698
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122306723
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122306736
5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306552
2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309055

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (CID 122306741) is 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is COc1ccccc1CC(=O)Nc1ccc(Oc2ccc(-n3ccnc3C)nn2)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
The InChIKey is AIQGEJWOSWZATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-16-24-13-14-28(16)21-11-12-23(27-26-21)31-19-9-7-18(8-10-19)25-22(29)15-17-5-3-4-6-20(17)30-2/h3-14H,15H2,1-2H3,(H,25,29).
What are the key properties of 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?
2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122306741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).