N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide

C12H12BrN5O — CID 79048080

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c(C)n2)nn1
InChIInChI=1S/C12H12BrN5O/c1-7-8(13)3-5-11(15-7)16-12(19)9-4-6-10(14-2)18-17-9/h3-6H,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyXARMEFXUOWLFJL-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.24
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 79048080) has the molecular formula C12H12BrN5O and a molecular weight of 322.17 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID79048080
Molecular FormulaC12H12BrN5O
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc(Br)c(C)n2)nn1
InChIInChI=1S/C12H12BrN5O/c1-7-8(13)3-5-11(15-7)16-12(19)9-4-6-10(14-2)18-17-9/h3-6H,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyXARMEFXUOWLFJL-UHFFFAOYSA-N
XLogP2.24
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(5-bromo-6-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 79049219
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79048918
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79729705
N-(2,6-dibromophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 107603307
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 104725169
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
6-(methylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 62165036
N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 82860303
N-(5-bromo-6-methyl-2-pyridinyl)furan-2-carboxamide
CID 955822

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide (CID 79048080) is N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2ccc(Br)c(C)n2)nn1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is XARMEFXUOWLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O/c1-7-8(13)3-5-11(15-7)16-12(19)9-4-6-10(14-2)18-17-9/h3-6H,1-2H3,(H,14,18)(H,15,16,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 322.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 79048080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).