1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide

C19H16BrN3O3 — CID 108791405

IUPAC1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O)c1ccccc1
InChIInChI=1S/C19H16BrN3O3/c1-12(13-5-3-2-4-6-13)21-19(26)18-16(24)11-17(25)23(22-18)15-9-7-14(20)8-10-15/h2-12,24H,1H3,(H,21,26)
InChIKeyCJRPMJGCDMWXNS-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide

1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide (PubChem CID 108791405) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide
PubChem CID108791405
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O)c1ccccc1
InChIInChI=1S/C19H16BrN3O3/c1-12(13-5-3-2-4-6-13)21-19(26)18-16(24)11-17(25)23(22-18)15-9-7-14(20)8-10-15/h2-12,24H,1H3,(H,21,26)
InChIKeyCJRPMJGCDMWXNS-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791406
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306
1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
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
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide
CID 108791427
5-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]-2-chlorobenzoic acid
CID 108803869
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide (CID 108791405) is 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide is CC(NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is CJRPMJGCDMWXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-12(13-5-3-2-4-6-13)21-19(26)18-16(24)11-17(25)23(22-18)15-9-7-14(20)8-10-15/h2-12,24H,1H3,(H,21,26).
What are the key properties of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide?
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 414.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 108791405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).