N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

C21H21N3O2 — CID 121050602

IUPACN-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-3-23(18-7-5-4-6-8-18)21(26)15-24-20(25)14-13-19(22-24)17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3
InChIKeyOLQUNOLDVJKHNF-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.27
Rot. Bonds5

About N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (PubChem CID 121050602) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
PubChem CID121050602
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-3-23(18-7-5-4-6-8-18)21(26)15-24-20(25)14-13-19(22-24)17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3
InChIKeyOLQUNOLDVJKHNF-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050637
N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051530
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
N-ethyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 121051529
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
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 121051941
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
N-ethyl-N-(2-methylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051397
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
CID 55883933
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (CID 121050602) is N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is CCN(C(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The InChIKey is OLQUNOLDVJKHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-23(18-7-5-4-6-8-18)21(26)15-24-20(25)14-13-19(22-24)17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide has a molecular weight of 347.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 121050602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).