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

C21H21N3O2 — CID 5070821

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-8-10-18(11-9-15)19-12-13-21(26)24(23-19)14-20(25)22-16(2)17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3,(H,22,25)
InChIKeyOUNNMFOGGYNLCP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.10
Rot. Bonds5

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

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 5070821) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID5070821
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-8-10-18(11-9-15)19-12-13-21(26)24(23-19)14-20(25)22-16(2)17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3,(H,22,25)
InChIKeyOUNNMFOGGYNLCP-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735
N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1290998
1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 2579680
N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide
CID 3113987
4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
CID 3155239
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide (CID 5070821) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NC(C)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is OUNNMFOGGYNLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-8-10-18(11-9-15)19-12-13-21(26)24(23-19)14-20(25)22-16(2)17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.10, 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 5070821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).