N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

C24H18BrN3O3 — CID 108791406

IUPACN-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1nn(-c2ccc(Br)cc2)c(=O)cc1O
InChIInChI=1S/C24H18BrN3O3/c25-18-11-13-19(14-12-18)28-21(30)15-20(29)23(27-28)24(31)26-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,22,29H,(H,26,31)
InChIKeyAIAQGFLBXATYNG-UHFFFAOYSA-N
MW476.33 g/mol
LogP4.22
Rot. Bonds5

About N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (PubChem CID 108791406) has the molecular formula C24H18BrN3O3 and a molecular weight of 476.33 g/mol. Its IUPAC name is N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
PubChem CID108791406
Molecular FormulaC24H18BrN3O3
Molecular Weight476.33 g/mol
Exact Mass475.05
IUPAC NameN-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1nn(-c2ccc(Br)cc2)c(=O)cc1O
InChIInChI=1S/C24H18BrN3O3/c25-18-11-13-19(14-12-18)28-21(30)15-20(29)23(27-28)24(31)26-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,22,29H,(H,26,31)
InChIKeyAIAQGFLBXATYNG-UHFFFAOYSA-N
XLogP4.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 108791405
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 26842143
1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
5-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]-2-chlorobenzoic acid
CID 108803869
N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803973
1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791473
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide
CID 108791427
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
CID 108791469
1-(4-bromophenyl)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 108791547
1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791549

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (CID 108791406) is N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1nn(-c2ccc(Br)cc2)c(=O)cc1O.
What is the InChIKey of N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The InChIKey is AIAQGFLBXATYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O3/c25-18-11-13-19(14-12-18)28-21(30)15-20(29)23(27-28)24(31)26-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,22,29H,(H,26,31).
What are the key properties of N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide has a molecular weight of 476.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108791406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).