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

C24H17BrN4O3 — CID 135606279

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H17BrN4O3/c25-18-11-12-19(30)17(13-18)14-26-28-23(31)21-20(15-7-3-1-4-8-15)22(27-29-24(21)32)16-9-5-2-6-10-16/h1-14,30H,(H,28,31)(H,29,32)/b26-14+
InChIKeyIVFRRSJIGAULLW-VULFUBBASA-N
MW489.33 g/mol
LogP4.34
Rot. Bonds5

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 135606279) has the molecular formula C24H17BrN4O3 and a molecular weight of 489.33 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID135606279
Molecular FormulaC24H17BrN4O3
Molecular Weight489.33 g/mol
Exact Mass488.05
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H17BrN4O3/c25-18-11-12-19(30)17(13-18)14-26-28-23(31)21-20(15-7-3-1-4-8-15)22(27-29-24(21)32)16-9-5-2-6-10-16/h1-14,30H,(H,28,31)(H,29,32)/b26-14+
InChIKeyIVFRRSJIGAULLW-VULFUBBASA-N
XLogP4.34
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.33
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871078
N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871077
6-oxo-3,4-diphenyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide
CID 6871117
6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide
CID 6871082
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]-4-phenylbenzamide
CID 135738438
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135633946
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 135650876
N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 7575274

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 135606279) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is IVFRRSJIGAULLW-VULFUBBASA-N. The full InChI is InChI=1S/C24H17BrN4O3/c25-18-11-12-19(30)17(13-18)14-26-28-23(31)21-20(15-7-3-1-4-8-15)22(27-29-24(21)32)16-9-5-2-6-10-16/h1-14,30H,(H,28,31)(H,29,32)/b26-14+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 489.33 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 135606279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).