N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide

C26H24N4O2 — CID 121051943

IUPACN-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCc1ccc(C)c(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)c3ccccn3)n2)c1
InChIInChI=1S/C26H24N4O2/c1-19-11-12-20(2)22(16-19)23-13-14-25(31)30(28-23)18-26(32)29(24-10-6-7-15-27-24)17-21-8-4-3-5-9-21/h3-16H,17-18H2,1-2H3
InChIKeyFSZXRIIAUHXLQE-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.16
Rot. Bonds6

About N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide

N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 121051943) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID121051943
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCc1ccc(C)c(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)c3ccccn3)n2)c1
InChIInChI=1S/C26H24N4O2/c1-19-11-12-20(2)22(16-19)23-13-14-25(31)30(28-23)18-26(32)29(24-10-6-7-15-27-24)17-21-8-4-3-5-9-21/h3-16H,17-18H2,1-2H3
InChIKeyFSZXRIIAUHXLQE-UHFFFAOYSA-N
XLogP4.16
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
CID 121051656
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 121051941
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905
N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide
CID 121064221
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7672092
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide
CID 17471291

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide (CID 121051943) is N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide is Cc1ccc(C)c(-c2ccc(=O)n(CC(=O)N(Cc3ccccc3)c3ccccn3)n2)c1.
What is the InChIKey of N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is FSZXRIIAUHXLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-19-11-12-20(2)22(16-19)23-13-14-25(31)30(28-23)18-26(32)29(24-10-6-7-15-27-24)17-21-8-4-3-5-9-21/h3-16H,17-18H2,1-2H3.
What are the key properties of N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide?
N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 424.50 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 121051943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).