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

C26H23N3O2 — CID 108790884

IUPAC6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1
InChIInChI=1S/C26H23N3O2/c1-17(2)18-13-15-21(16-14-18)27-25(30)23-22(19-9-5-3-6-10-19)24(28-29-26(23)31)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,27,30)(H,29,31)
InChIKeyBMMZYWANBKOYHD-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.48
Rot. Bonds5

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

6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide (PubChem CID 108790884) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
PubChem CID108790884
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1
InChIInChI=1S/C26H23N3O2/c1-17(2)18-13-15-21(16-14-18)27-25(30)23-22(19-9-5-3-6-10-19)24(28-29-26(23)31)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,27,30)(H,29,31)
InChIKeyBMMZYWANBKOYHD-UHFFFAOYSA-N
XLogP5.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-3,4-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyridazine-5-carboxamide
CID 6871082
6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
CID 16832284
2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid
CID 108790984
methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
CID 108803578
N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790907
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737815
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 16957838
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108803588
N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790883
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108744733

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide?
The IUPAC name of 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide (CID 108790884) is 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide?
The canonical SMILES for 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide is CC(C)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1.
What is the InChIKey of 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide?
The InChIKey is BMMZYWANBKOYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-17(2)18-13-15-21(16-14-18)27-25(30)23-22(19-9-5-3-6-10-19)24(28-29-26(23)31)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,27,30)(H,29,31).
What are the key properties of 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide?
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108790884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).