6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide

C14H15BrN4O — CID 122143450

IUPAC6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide
SMILESCN(CCc1ccc(Br)cc1)c1ccc(C(N)=O)nn1
InChIInChI=1S/C14H15BrN4O/c1-19(9-8-10-2-4-11(15)5-3-10)13-7-6-12(14(16)20)17-18-13/h2-7H,8-9H2,1H3,(H2,16,20)
InChIKeyIIQHRHUOXRNCEY-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.02
Rot. Bonds5

About 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide

6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide (PubChem CID 122143450) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide
PubChem CID122143450
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide
SMILESCN(CCc1ccc(Br)cc1)c1ccc(C(N)=O)nn1
InChIInChI=1S/C14H15BrN4O/c1-19(9-8-10-2-4-11(15)5-3-10)13-7-6-12(14(16)20)17-18-13/h2-7H,8-9H2,1H3,(H2,16,20)
InChIKeyIIQHRHUOXRNCEY-UHFFFAOYSA-N
XLogP2.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide (CID 122143450) is 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide is CN(CCc1ccc(Br)cc1)c1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide?
The InChIKey is IIQHRHUOXRNCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(9-8-10-2-4-11(15)5-3-10)13-7-6-12(14(16)20)17-18-13/h2-7H,8-9H2,1H3,(H2,16,20).
What are the key properties of 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide?
6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 122143450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).