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

C15H17N3O3 — CID 30948474

IUPACN-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCn1ncccc1=O
InChIInChI=1S/C15H17N3O3/c19-14(12-21-13-6-2-1-3-7-13)16-9-5-11-18-15(20)8-4-10-17-18/h1-4,6-8,10H,5,9,11-12H2,(H,16,19)
InChIKeyKQRVNJXYVLBQLH-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.83
Rot. Bonds7

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

N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide (PubChem CID 30948474) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
PubChem CID30948474
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCn1ncccc1=O
InChIInChI=1S/C15H17N3O3/c19-14(12-21-13-6-2-1-3-7-13)16-9-5-11-18-15(20)8-4-10-17-18/h1-4,6-8,10H,5,9,11-12H2,(H,16,19)
InChIKeyKQRVNJXYVLBQLH-UHFFFAOYSA-N
XLogP0.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.83
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-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948558
2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948572
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-2-phenoxyacetamide
CID 42138740
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
2-nitro-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948429
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 121050261

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide (CID 30948474) is N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCn1ncccc1=O.
What is the InChIKey of N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide?
The InChIKey is KQRVNJXYVLBQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(12-21-13-6-2-1-3-7-13)16-9-5-11-18-15(20)8-4-10-17-18/h1-4,6-8,10H,5,9,11-12H2,(H,16,19).
What are the key properties of N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide?
N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide is sourced from PubChem (CID 30948474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).