N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide

C22H21N3O3 — CID 7663125

IUPACN-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C22H21N3O3/c1-3-16-4-6-18(7-5-16)20-12-13-22(28)25(24-20)14-21(27)23-19-10-8-17(9-11-19)15(2)26/h4-13H,3,14H2,1-2H3,(H,23,27)
InChIKeyCKQQZRBKWJUQKH-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.31
Rot. Bonds6

About N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7663125) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7663125
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C22H21N3O3/c1-3-16-4-6-18(7-5-16)20-12-13-22(28)25(24-20)14-21(27)23-19-10-8-17(9-11-19)15(2)26/h4-13H,3,14H2,1-2H3,(H,23,27)
InChIKeyCKQQZRBKWJUQKH-UHFFFAOYSA-N
XLogP3.31
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7663294
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8698992
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
ethyl 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7664475
ethyl 4-[[2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376414
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
4-(cyclopropanecarbonylamino)-N-[2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]benzamide
CID 121050984
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7663125) is N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide is CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is CKQQZRBKWJUQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-16-4-6-18(7-5-16)20-12-13-22(28)25(24-20)14-21(27)23-19-10-8-17(9-11-19)15(2)26/h4-13H,3,14H2,1-2H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7663125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).