N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C16H19N3O2 — CID 4064418

IUPACN-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-2-3-11-17-15(20)12-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,20)
InChIKeyOXHGGKOPZDRXTE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.83
Rot. Bonds6

About N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 4064418) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID4064418
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-2-3-11-17-15(20)12-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,20)
InChIKeyOXHGGKOPZDRXTE-UHFFFAOYSA-N
XLogP1.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
N-[3-[benzyl(butyl)amino]propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 20968334
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
CID 71317801
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938943
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 4064418) is N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is OXHGGKOPZDRXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-3-11-17-15(20)12-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,20).
What are the key properties of N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 4064418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).