2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide

C23H25N3O2 — CID 121051941

IUPAC2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1nc(-c2cc(C)ccc2C)ccc1=O)c1cccc(C)c1
InChIInChI=1S/C23H25N3O2/c1-5-25(19-8-6-7-16(2)13-19)23(28)15-26-22(27)12-11-21(24-26)20-14-17(3)9-10-18(20)4/h6-14H,5,15H2,1-4H3
InChIKeyREJBJCQZUURAJR-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.89
Rot. Bonds5

About 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide

2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 121051941) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID121051941
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1nc(-c2cc(C)ccc2C)ccc1=O)c1cccc(C)c1
InChIInChI=1S/C23H25N3O2/c1-5-25(19-8-6-7-16(2)13-19)23(28)15-26-22(27)12-11-21(24-26)20-14-17(3)9-10-18(20)4/h6-14H,5,15H2,1-4H3
InChIKeyREJBJCQZUURAJR-UHFFFAOYSA-N
XLogP3.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
CID 121051943
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905
2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one
CID 7672173
N-(2,3-dichlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672207
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7672092
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 61075325
N-(2-chloro-4-methylphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609008
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050637
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium
CID 7672172
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
methyl 4-[[2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7672095

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide (CID 121051941) is 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)Cn1nc(-c2cc(C)ccc2C)ccc1=O)c1cccc(C)c1.
What is the InChIKey of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is REJBJCQZUURAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-5-25(19-8-6-7-16(2)13-19)23(28)15-26-22(27)12-11-21(24-26)20-14-17(3)9-10-18(20)4/h6-14H,5,15H2,1-4H3.
What are the key properties of 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 121051941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).