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

C19H14BrN3O4 — CID 108803973

IUPACN-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)cc2O)c1
InChIInChI=1S/C19H14BrN3O4/c1-11(24)12-3-2-4-14(9-12)21-19(27)18-16(25)10-17(26)23(22-18)15-7-5-13(20)6-8-15/h2-10,25H,1H3,(H,21,27)
InChIKeyKLUXUSQWTWXMMT-UHFFFAOYSA-N
MW428.24 g/mol
LogP3.16
Rot. Bonds4

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

N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (PubChem CID 108803973) has the molecular formula C19H14BrN3O4 and a molecular weight of 428.24 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
PubChem CID108803973
Molecular FormulaC19H14BrN3O4
Molecular Weight428.24 g/mol
Exact Mass427.02
IUPAC NameN-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)cc2O)c1
InChIInChI=1S/C19H14BrN3O4/c1-11(24)12-3-2-4-14(9-12)21-19(27)18-16(25)10-17(26)23(22-18)15-7-5-13(20)6-8-15/h2-10,25H,1H3,(H,21,27)
InChIKeyKLUXUSQWTWXMMT-UHFFFAOYSA-N
XLogP3.16
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803980
ethyl 4-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]benzoate
CID 108791374
N-(3-acetylphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555936
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
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-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 108791547
1-(4-bromophenyl)-N-[4-(diethylamino)-2-methylphenyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791542
1-(4-bromophenyl)-4-hydroxy-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 108803884
1-(4-bromophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791473

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (CID 108803973) is N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)cc2O)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The InChIKey is KLUXUSQWTWXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O4/c1-11(24)12-3-2-4-14(9-12)21-19(27)18-16(25)10-17(26)23(22-18)15-7-5-13(20)6-8-15/h2-10,25H,1H3,(H,21,27).
What are the key properties of N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide has a molecular weight of 428.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108803973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).