N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C24H16Cl2N4O2 — CID 6871078

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H16Cl2N4O2/c25-18-12-11-17(19(26)13-18)14-27-29-23(31)21-20(15-7-3-1-4-8-15)22(28-30-24(21)32)16-9-5-2-6-10-16/h1-14H,(H,29,31)(H,30,32)/b27-14+
InChIKeyNSZZQSZNMMLYNF-MZJWZYIUSA-N
MW463.32 g/mol
LogP5.17
Rot. Bonds5

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 6871078) has the molecular formula C24H16Cl2N4O2 and a molecular weight of 463.32 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID6871078
Molecular FormulaC24H16Cl2N4O2
Molecular Weight463.32 g/mol
Exact Mass462.07
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H16Cl2N4O2/c25-18-12-11-17(19(26)13-18)14-27-29-23(31)21-20(15-7-3-1-4-8-15)22(28-30-24(21)32)16-9-5-2-6-10-16/h1-14H,(H,29,31)(H,30,32)/b27-14+
InChIKeyNSZZQSZNMMLYNF-MZJWZYIUSA-N
XLogP5.17
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 55.17
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

N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871077
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 135606279
6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide
CID 6871082
6-oxo-3,4-diphenyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide
CID 6871117
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176992
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108739115
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871114
3-(4-chlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891280
N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790883
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 6871078) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is NSZZQSZNMMLYNF-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H16Cl2N4O2/c25-18-12-11-17(19(26)13-18)14-27-29-23(31)21-20(15-7-3-1-4-8-15)22(28-30-24(21)32)16-9-5-2-6-10-16/h1-14H,(H,29,31)(H,30,32)/b27-14+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 463.32 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 6871078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).