N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide

C13H12BrClN4O — CID 104725169

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)nn1
InChIInChI=1S/C13H12BrClN4O/c1-7-5-8(14)11(6-9(7)15)17-13(20)10-3-4-12(16-2)19-18-10/h3-6H,1-2H3,(H,16,19)(H,17,20)
InChIKeyQANLDPGTOKBSTO-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.49
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 104725169) has the molecular formula C13H12BrClN4O and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID104725169
Molecular FormulaC13H12BrClN4O
Molecular Weight355.62 g/mol
Exact Mass353.99
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)nn1
InChIInChI=1S/C13H12BrClN4O/c1-7-5-8(14)11(6-9(7)15)17-13(20)10-3-4-12(16-2)19-18-10/h3-6H,1-2H3,(H,16,19)(H,17,20)
InChIKeyQANLDPGTOKBSTO-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167689
N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 103481373
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79729705
N-(2,5-dichloro-4-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 104728134
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 104725128
N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62166760
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79048080
N-(2,6-dibromophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 107603307
6-(methylamino)-N-(4-methyl-3-pyridinyl)pyridazine-3-carboxamide
CID 55203049

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide (CID 104725169) is N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)nn1.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is QANLDPGTOKBSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O/c1-7-5-8(14)11(6-9(7)15)17-13(20)10-3-4-12(16-2)19-18-10/h3-6H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 355.62 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 104725169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).