2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C22H23N3O2 — CID 7662494

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-15(2)17-8-10-19(11-9-17)23-21(26)14-25-22(27)13-12-20(24-25)18-6-4-16(3)5-7-18/h4-13,15H,14H2,1-3H3,(H,23,26)
InChIKeyXWTSWUKUSZTLMJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.98
Rot. Bonds5

About 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 7662494) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID7662494
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-15(2)17-8-10-19(11-9-17)23-21(26)14-25-22(27)13-12-20(24-25)18-6-4-16(3)5-7-18/h4-13,15H,14H2,1-3H3,(H,23,26)
InChIKeyXWTSWUKUSZTLMJ-UHFFFAOYSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 7662494) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XWTSWUKUSZTLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)17-8-10-19(11-9-17)23-21(26)14-25-22(27)13-12-20(24-25)18-6-4-16(3)5-7-18/h4-13,15H,14H2,1-3H3,(H,23,26).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7662494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).