N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C24H17ClN4O2 — CID 6871077

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H17ClN4O2/c25-19-13-11-16(12-14-19)15-26-28-23(30)21-20(17-7-3-1-4-8-17)22(27-29-24(21)31)18-9-5-2-6-10-18/h1-15H,(H,28,30)(H,29,31)/b26-15+
InChIKeyCKWCQCDYSBRGIT-CVKSISIWSA-N
MW428.88 g/mol
LogP4.52
Rot. Bonds5

About N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 6871077) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID6871077
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H17ClN4O2/c25-19-13-11-16(12-14-19)15-26-28-23(30)21-20(17-7-3-1-4-8-17)22(27-29-24(21)31)18-9-5-2-6-10-18/h1-15H,(H,28,30)(H,29,31)/b26-15+
InChIKeyCKWCQCDYSBRGIT-CVKSISIWSA-N
XLogP4.52
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.52
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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Related Compounds

6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide
CID 6871082
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871078
6-oxo-3,4-diphenyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide
CID 6871117
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6888323
N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 761031
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871114
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 135606279
N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 7575274
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790883
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108739115

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 6871077) is N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is CKWCQCDYSBRGIT-CVKSISIWSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c25-19-13-11-16(12-14-19)15-26-28-23(30)21-20(17-7-3-1-4-8-17)22(27-29-24(21)31)18-9-5-2-6-10-18/h1-15H,(H,28,30)(H,29,31)/b26-15+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 6871077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).