N-(5,6-diphenylpyridazin-3-yl)hexanamide

C22H23N3O — CID 11727677

IUPACN-(5,6-diphenylpyridazin-3-yl)hexanamide
SMILESCCCCCC(=O)Nc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C22H23N3O/c1-2-3-6-15-21(26)23-20-16-19(17-11-7-4-8-12-17)22(25-24-20)18-13-9-5-10-14-18/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,23,24,26)
InChIKeyMAAVQWBDLZIZJF-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.33
Rot. Bonds7

About N-(5,6-diphenylpyridazin-3-yl)hexanamide

N-(5,6-diphenylpyridazin-3-yl)hexanamide (PubChem CID 11727677) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(5,6-diphenylpyridazin-3-yl)hexanamide.

Molecular Properties

Compound NameN-(5,6-diphenylpyridazin-3-yl)hexanamide
PubChem CID11727677
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(5,6-diphenylpyridazin-3-yl)hexanamide
SMILESCCCCCC(=O)Nc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C22H23N3O/c1-2-3-6-15-21(26)23-20-16-19(17-11-7-4-8-12-17)22(25-24-20)18-13-9-5-10-14-18/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,23,24,26)
InChIKeyMAAVQWBDLZIZJF-UHFFFAOYSA-N
XLogP5.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.33
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-(5,6-diphenylpyridazin-3-yl)hexanamide?
The IUPAC name of N-(5,6-diphenylpyridazin-3-yl)hexanamide (CID 11727677) is N-(5,6-diphenylpyridazin-3-yl)hexanamide.
What is the SMILES notation for N-(5,6-diphenylpyridazin-3-yl)hexanamide?
The canonical SMILES for N-(5,6-diphenylpyridazin-3-yl)hexanamide is CCCCCC(=O)Nc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of N-(5,6-diphenylpyridazin-3-yl)hexanamide?
The InChIKey is MAAVQWBDLZIZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-3-6-15-21(26)23-20-16-19(17-11-7-4-8-12-17)22(25-24-20)18-13-9-5-10-14-18/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,23,24,26).
What are the key properties of N-(5,6-diphenylpyridazin-3-yl)hexanamide?
N-(5,6-diphenylpyridazin-3-yl)hexanamide has a molecular weight of 345.45 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diphenylpyridazin-3-yl)hexanamide is sourced from PubChem (CID 11727677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).