N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide

C16H20BrN5O — CID 109115295

IUPACN-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCN(C)C)nn2)c(Br)c1
InChIInChI=1S/C16H20BrN5O/c1-11-4-5-13(12(17)10-11)19-16(23)14-6-7-15(21-20-14)18-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyHJDRPXUTHVOGNZ-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.77
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide

N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide (PubChem CID 109115295) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
PubChem CID109115295
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC NameN-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCN(C)C)nn2)c(Br)c1
InChIInChI=1S/C16H20BrN5O/c1-11-4-5-13(12(17)10-11)19-16(23)14-6-7-15(21-20-14)18-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyHJDRPXUTHVOGNZ-UHFFFAOYSA-N
XLogP2.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115922
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115475
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
N-(3-chlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115247
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115325
N'-(2-bromo-4-methylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943932
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243
6-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111165
N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121554

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide (CID 109115295) is N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCCN(C)C)nn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide?
The InChIKey is HJDRPXUTHVOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-11-4-5-13(12(17)10-11)19-16(23)14-6-7-15(21-20-14)18-8-9-22(2)3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109115295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).