N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide

C20H17N5O5 — CID 7665621

IUPACN-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1
InChIInChI=1S/C20H17N5O5/c1-13(26)21-15-5-3-6-16(11-15)22-19(27)12-24-20(28)9-8-18(23-24)14-4-2-7-17(10-14)25(29)30/h2-11H,12H2,1H3,(H,21,26)(H,22,27)
InChIKeyVIUHZGYMWDLMTR-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.42
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide

N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7665621) has the molecular formula C20H17N5O5 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7665621
Molecular FormulaC20H17N5O5
Molecular Weight407.39 g/mol
Exact Mass407.12
IUPAC NameN-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1
InChIInChI=1S/C20H17N5O5/c1-13(26)21-15-5-3-6-16(11-15)22-19(27)12-24-20(28)9-8-18(23-24)14-4-2-7-17(10-14)25(29)30/h2-11H,12H2,1H3,(H,21,26)(H,22,27)
InChIKeyVIUHZGYMWDLMTR-UHFFFAOYSA-N
XLogP2.42
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376567
N-(1,3-benzodioxol-5-yl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665617
N-(2,4-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665589
N-(2,5-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665571
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one
CID 71864720
N-(4-nitrophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052626
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7663294
2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7665455
N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502695
2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 7665774

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide (CID 7665621) is N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is VIUHZGYMWDLMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O5/c1-13(26)21-15-5-3-6-16(11-15)22-19(27)12-24-20(28)9-8-18(23-24)14-4-2-7-17(10-14)25(29)30/h2-11H,12H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 407.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7665621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).