N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C21H21N3O2 — CID 5053346

IUPACN-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCc1ccc(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C21H21N3O2/c1-2-16-8-10-17(11-9-16)14-22-20(25)15-24-21(26)13-12-19(23-24)18-6-4-3-5-7-18/h3-13H,2,14-15H2,1H3,(H,22,25)
InChIKeyNTUUAKQFQKVTNP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.79
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 5053346) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID5053346
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCc1ccc(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C21H21N3O2/c1-2-16-8-10-17(11-9-16)14-22-20(25)15-24-21(26)13-12-19(23-24)18-6-4-3-5-7-18/h3-13H,2,14-15H2,1H3,(H,22,25)
InChIKeyNTUUAKQFQKVTNP-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55841099
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121051022
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659751
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121050894
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
ethyl 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7662975
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 5053346) is N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCc1ccc(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is NTUUAKQFQKVTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-16-8-10-17(11-9-16)14-22-20(25)15-24-21(26)13-12-19(23-24)18-6-4-3-5-7-18/h3-13H,2,14-15H2,1H3,(H,22,25).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 5053346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).