N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C27H25N3O3 — CID 121050431

IUPACN-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)NC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C27H25N3O3/c1-2-33-23-15-13-20(14-16-23)24-17-18-26(32)30(29-24)19-25(31)28-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18,27H,2,19H2,1H3,(H,28,31)
InChIKeyUTOPOGZHBCFGJD-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.21
Rot. Bonds8

About N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050431) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050431
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)NC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C27H25N3O3/c1-2-33-23-15-13-20(14-16-23)24-17-18-26(32)30(29-24)19-25(31)28-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18,27H,2,19H2,1H3,(H,28,31)
InChIKeyUTOPOGZHBCFGJD-UHFFFAOYSA-N
XLogP4.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 52508691
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050559
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
CID 16885616
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7662101
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050431) is N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is CCOc1ccc(-c2ccc(=O)n(CC(=O)NC(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is UTOPOGZHBCFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-2-33-23-15-13-20(14-16-23)24-17-18-26(32)30(29-24)19-25(31)28-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18,27H,2,19H2,1H3,(H,28,31).
What are the key properties of N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).