N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide

C16H21N3O2 — CID 15994475

IUPACN-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
SMILESCCCCNC(=O)CN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C16H21N3O2/c1-2-3-11-17-15(20)12-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,20)
InChIKeyZIWRHUMLRGXRAA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds6

About N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide

N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide (PubChem CID 15994475) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
PubChem CID15994475
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
SMILESCCCCNC(=O)CN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C16H21N3O2/c1-2-3-11-17-15(20)12-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,20)
InChIKeyZIWRHUMLRGXRAA-UHFFFAOYSA-N
XLogP1.93
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide (CID 15994475) is N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide is CCCCNC(=O)CN1N=C(c2ccccc2)CCC1=O.
What is the InChIKey of N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The InChIKey is ZIWRHUMLRGXRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-3-11-17-15(20)12-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,20).
What are the key properties of N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide is sourced from PubChem (CID 15994475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).