N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C23H22N4O2 — CID 7575274

IUPACN-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(NN=C1CCCCC1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C23H22N4O2/c28-22(26-24-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)21(25-27-23(20)29)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,26,28)(H,27,29)
InChIKeyXMZBLISAHDLWMB-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.15
Rot. Bonds4

About N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 7575274) has the molecular formula C23H22N4O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID7575274
Molecular FormulaC23H22N4O2
Molecular Weight386.45 g/mol
Exact Mass386.17
IUPAC NameN-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(NN=C1CCCCC1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C23H22N4O2/c28-22(26-24-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)21(25-27-23(20)29)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,26,28)(H,27,29)
InChIKeyXMZBLISAHDLWMB-UHFFFAOYSA-N
XLogP4.15
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 7575274) is N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is O=C(NN=C1CCCCC1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is XMZBLISAHDLWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-22(26-24-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)21(25-27-23(20)29)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,26,28)(H,27,29).
What are the key properties of N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 7575274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).