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

C27H24N4O2 — CID 6871082

IUPAC6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide
SMILESCC(C)c1ccc(/C=N/NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1
InChIInChI=1S/C27H24N4O2/c1-18(2)20-15-13-19(14-16-20)17-28-30-26(32)24-23(21-9-5-3-6-10-21)25(29-31-27(24)33)22-11-7-4-8-12-22/h3-18H,1-2H3,(H,30,32)(H,31,33)/b28-17+
InChIKeyUQNVFCIKIXQSNY-OGLMXYFKSA-N
MW436.52 g/mol
LogP4.99
Rot. Bonds6

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

6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide (PubChem CID 6871082) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide
PubChem CID6871082
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide
SMILESCC(C)c1ccc(/C=N/NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1
InChIInChI=1S/C27H24N4O2/c1-18(2)20-15-13-19(14-16-20)17-28-30-26(32)24-23(21-9-5-3-6-10-21)25(29-31-27(24)33)22-11-7-4-8-12-22/h3-18H,1-2H3,(H,30,32)(H,31,33)/b28-17+
InChIKeyUQNVFCIKIXQSNY-OGLMXYFKSA-N
XLogP4.99
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.99
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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Launch Full Analysis

Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871077
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871114
6-oxo-3,4-diphenyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyridazine-5-carboxamide
CID 6871117
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871078
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 135606279
N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790907
N-(cyclohexylideneamino)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 7575274
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
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2E)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6867420

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide?
The IUPAC name of 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide (CID 6871082) is 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide is CC(C)c1ccc(/C=N/NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1.
What is the InChIKey of 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide?
The InChIKey is UQNVFCIKIXQSNY-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-18(2)20-15-13-19(14-16-20)17-28-30-26(32)24-23(21-9-5-3-6-10-21)25(29-31-27(24)33)22-11-7-4-8-12-22/h3-18H,1-2H3,(H,30,32)(H,31,33)/b28-17+.
What are the key properties of 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide?
6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 6871082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).