N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C19H16BrN3O4 — CID 108798420

IUPACN-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)Nc2ccc(Br)cc2C)c(O)cc1=O
InChIInChI=1S/C19H16BrN3O4/c1-11-9-12(20)7-8-13(11)21-19(26)18-15(24)10-17(25)23(22-18)14-5-3-4-6-16(14)27-2/h3-10,24H,1-2H3,(H,21,26)
InChIKeyYPTFIZCZLUAGLM-UHFFFAOYSA-N
MW430.26 g/mol
LogP3.27
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108798420) has the molecular formula C19H16BrN3O4 and a molecular weight of 430.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108798420
Molecular FormulaC19H16BrN3O4
Molecular Weight430.26 g/mol
Exact Mass429.03
IUPAC NameN-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)Nc2ccc(Br)cc2C)c(O)cc1=O
InChIInChI=1S/C19H16BrN3O4/c1-11-9-12(20)7-8-13(11)21-19(26)18-15(24)10-17(25)23(22-18)14-5-3-4-6-16(14)27-2/h3-10,24H,1-2H3,(H,21,26)
InChIKeyYPTFIZCZLUAGLM-UHFFFAOYSA-N
XLogP3.27
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
4-hydroxy-1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
CID 108798558
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791549
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798592

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 108798420) is N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)Nc2ccc(Br)cc2C)c(O)cc1=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is YPTFIZCZLUAGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4/c1-11-9-12(20)7-8-13(11)21-19(26)18-15(24)10-17(25)23(22-18)14-5-3-4-6-16(14)27-2/h3-10,24H,1-2H3,(H,21,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 430.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108798420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).