2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide

C21H19N3O3 — CID 30948534

IUPAC2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
SMILESO=C(NCCCn1ncccc1=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H19N3O3/c25-19-12-6-14-23-24(19)15-7-13-22-21(27)18-11-5-4-10-17(18)20(26)16-8-2-1-3-9-16/h1-6,8-12,14H,7,13,15H2,(H,22,27)
InChIKeyZLFAMMFHVKEVKK-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.29
Rot. Bonds7

About 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide

2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide (PubChem CID 30948534) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
PubChem CID30948534
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
SMILESO=C(NCCCn1ncccc1=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H19N3O3/c25-19-12-6-14-23-24(19)15-7-13-22-21(27)18-11-5-4-10-17(18)20(26)16-8-2-1-3-9-16/h1-6,8-12,14H,7,13,15H2,(H,22,27)
InChIKeyZLFAMMFHVKEVKK-UHFFFAOYSA-N
XLogP2.29
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-nitro-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948429
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
CID 30948474
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
methyl 4-[(2-benzoylbenzoyl)amino]butanoate
CID 33234645
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
2-(4-methylbenzoyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058915
2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515068
1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948625

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The IUPAC name of 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide (CID 30948534) is 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide is O=C(NCCCn1ncccc1=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The InChIKey is ZLFAMMFHVKEVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19-12-6-14-23-24(19)15-7-13-22-21(27)18-11-5-4-10-17(18)20(26)16-8-2-1-3-9-16/h1-6,8-12,14H,7,13,15H2,(H,22,27).
What are the key properties of 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide is sourced from PubChem (CID 30948534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).