N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide

C23H25N3O2 — CID 46923334

IUPACN-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O
InChIInChI=1S/C23H25N3O2/c1-4-25(15-19-8-6-5-7-9-19)23(28)16-26-22(27)13-12-21(24-26)20-11-10-17(2)18(3)14-20/h5-14H,4,15-16H2,1-3H3
InChIKeyXIPINJWGZMATKJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.58
Rot. Bonds6

About N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide

N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide (PubChem CID 46923334) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
PubChem CID46923334
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O
InChIInChI=1S/C23H25N3O2/c1-4-25(15-19-8-6-5-7-9-19)23(28)16-26-22(27)13-12-21(24-26)20-11-10-17(2)18(3)14-20/h5-14H,4,15-16H2,1-3H3
InChIKeyXIPINJWGZMATKJ-UHFFFAOYSA-N
XLogP3.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N,N-dibenzylacetamide
CID 121051210
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51048621
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7666096
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 7666246
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide (CID 46923334) is N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O.
What is the InChIKey of N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The InChIKey is XIPINJWGZMATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-25(15-19-8-6-5-7-9-19)23(28)16-26-22(27)13-12-21(24-26)20-11-10-17(2)18(3)14-20/h5-14H,4,15-16H2,1-3H3.
What are the key properties of N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide?
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide has a molecular weight of 375.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 46923334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).