1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide

C20H25BrN4O3 — CID 108791469

IUPAC1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)cc2O)CC(C)(C)N1
InChIInChI=1S/C20H25BrN4O3/c1-19(2)10-13(11-20(3,4)24-19)22-18(28)17-15(26)9-16(27)25(23-17)14-7-5-12(21)6-8-14/h5-9,13,24,26H,10-11H2,1-4H3,(H,22,28)
InChIKeyKMFSSXBMFBPIAS-UHFFFAOYSA-N
MW449.35 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide

1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide (PubChem CID 108791469) has the molecular formula C20H25BrN4O3 and a molecular weight of 449.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
PubChem CID108791469
Molecular FormulaC20H25BrN4O3
Molecular Weight449.35 g/mol
Exact Mass448.11
IUPAC Name1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)cc2O)CC(C)(C)N1
InChIInChI=1S/C20H25BrN4O3/c1-19(2)10-13(11-20(3,4)24-19)22-18(28)17-15(26)9-16(27)25(23-17)14-7-5-12(21)6-8-14/h5-9,13,24,26H,10-11H2,1-4H3,(H,22,28)
InChIKeyKMFSSXBMFBPIAS-UHFFFAOYSA-N
XLogP2.74
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
CID 108785284
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791473
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 108791405
N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791406
1-(4-bromophenyl)-4-hydroxy-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 108803884
N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803973
1-(4-bromophenyl)-N-[4-(diethylamino)-2-methylphenyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791542
1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791549
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyridazine-3-carboxamide
CID 108791427
ethyl 4-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]benzoate
CID 108791374

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide (CID 108791469) is 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide is CC1(C)CC(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)cc2O)CC(C)(C)N1.
What is the InChIKey of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is KMFSSXBMFBPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O3/c1-19(2)10-13(11-20(3,4)24-19)22-18(28)17-15(26)9-16(27)25(23-17)14-7-5-12(21)6-8-14/h5-9,13,24,26H,10-11H2,1-4H3,(H,22,28).
What are the key properties of 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide?
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 449.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 108791469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).