N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide

C13H13BrN4O2 — CID 82860303

IUPACN-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c(OC)c2)nn1
InChIInChI=1S/C13H13BrN4O2/c1-15-12-6-5-10(17-18-12)13(19)16-8-3-4-9(14)11(7-8)20-2/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyGOVCHAZZUJVSPU-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.54
Rot. Bonds4

About N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide

N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 82860303) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID82860303
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC NameN-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c(OC)c2)nn1
InChIInChI=1S/C13H13BrN4O2/c1-15-12-6-5-10(17-18-12)13(19)16-8-3-4-9(14)11(7-8)20-2/h3-7H,1-2H3,(H,15,18)(H,16,19)
InChIKeyGOVCHAZZUJVSPU-UHFFFAOYSA-N
XLogP2.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
N-(3,5-dimethoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62173292
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566
N-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124776
6-(methylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 62165036
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 133435107
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79048080
N-(4-bromo-3-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 82867994

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide (CID 82860303) is N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2ccc(Br)c(OC)c2)nn1.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is GOVCHAZZUJVSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-15-12-6-5-10(17-18-12)13(19)16-8-3-4-9(14)11(7-8)20-2/h3-7H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 82860303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).