N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C21H21N3O2 — CID 121050082

IUPACN-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1C
InChIInChI=1S/C21H21N3O2/c1-3-23(19-12-8-7-9-16(19)2)21(26)15-24-20(25)14-13-18(22-24)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3
InChIKeySHUIKXQKDXCJQK-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.27
Rot. Bonds5

About N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 121050082) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID121050082
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1C
InChIInChI=1S/C21H21N3O2/c1-3-23(19-12-8-7-9-16(19)2)21(26)15-24-20(25)14-13-18(22-24)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3
InChIKeySHUIKXQKDXCJQK-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-ethyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 121051529
N-ethyl-N-(2-methylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051397
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55883158
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
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62816853
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
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-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 121050082) is N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1C.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is SHUIKXQKDXCJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-23(19-12-8-7-9-16(19)2)21(26)15-24-20(25)14-13-18(22-24)17-10-5-4-6-11-17/h4-14H,3,15H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide 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-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121050082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).