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

C22H24N4O3 — CID 113046934

IUPAC2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2C(C)C)nn1
InChIInChI=1S/C22H24N4O3/c1-15(2)16-8-4-5-9-17(16)23-20-12-13-21(26-25-20)24-22(27)14-29-19-11-7-6-10-18(19)28-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeyBSUJMTIFGVRFOE-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.37
Rot. Bonds8

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

2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide (PubChem CID 113046934) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide
PubChem CID113046934
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2C(C)C)nn1
InChIInChI=1S/C22H24N4O3/c1-15(2)16-8-4-5-9-17(16)23-20-12-13-21(26-25-20)24-22(27)14-29-19-11-7-6-10-18(19)28-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeyBSUJMTIFGVRFOE-UHFFFAOYSA-N
XLogP4.37
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046921
2-(2-methoxyphenoxy)-N-[6-(2,4,6-trimethylanilino)pyridazin-3-yl]acetamide
CID 113047016
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
2-(2-methoxyphenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031340
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042355

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide (CID 113046934) is 2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide is COc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2C(C)C)nn1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide?
The InChIKey is BSUJMTIFGVRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(2)16-8-4-5-9-17(16)23-20-12-13-21(26-25-20)24-22(27)14-29-19-11-7-6-10-18(19)28-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27).
What are the key properties of 2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide?
2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 4.37, 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-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113046934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).