N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide

C18H14BrN3O3 — CID 7693130

IUPACN-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C18H14BrN3O3/c1-25-15-8-6-14(7-9-15)22-11-10-16(23)17(21-22)18(24)20-13-4-2-12(19)3-5-13/h2-11H,1H3,(H,20,24)
InChIKeySDDHVSJAFZAPSL-UHFFFAOYSA-N
MW400.23 g/mol
LogP3.26
Rot. Bonds4

About N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide

N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 7693130) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID7693130
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC NameN-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C18H14BrN3O3/c1-25-15-8-6-14(7-9-15)22-11-10-16(23)17(21-22)18(24)20-13-4-2-12(19)3-5-13/h2-11H,1H3,(H,20,24)
InChIKeySDDHVSJAFZAPSL-UHFFFAOYSA-N
XLogP3.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693958
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 178130115
N-(4-bromophenyl)-4-[3-(3-methoxyphenyl)pyrazol-1-yl]benzamide
CID 172876440
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
3-bromo-1-(4-methoxyphenyl)pyrazole
CID 84707783
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
(1S,4S)-N-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 102402698

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide (CID 7693130) is N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide is COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is SDDHVSJAFZAPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c1-25-15-8-6-14(7-9-15)22-11-10-16(23)17(21-22)18(24)20-13-4-2-12(19)3-5-13/h2-11H,1H3,(H,20,24).
What are the key properties of N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide?
N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 400.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 7693130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).