6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide

C13H19N3O2 — CID 90509274

IUPAC6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCCC2C)nn1
InChIInChI=1S/C13H19N3O2/c1-9-5-3-4-6-10(9)14-13(17)11-7-8-12(18-2)16-15-11/h7-10H,3-6H2,1-2H3,(H,14,17)
InChIKeyAONHKNLMLHWPMG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds3

About 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide

6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide (PubChem CID 90509274) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
PubChem CID90509274
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCCC2C)nn1
InChIInChI=1S/C13H19N3O2/c1-9-5-3-4-6-10(9)14-13(17)11-7-8-12(18-2)16-15-11/h7-10H,3-6H2,1-2H3,(H,14,17)
InChIKeyAONHKNLMLHWPMG-UHFFFAOYSA-N
XLogP1.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide (CID 90509274) is 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide is COc1ccc(C(=O)NC2CCCCC2C)nn1.
What is the InChIKey of 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide?
The InChIKey is AONHKNLMLHWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-3-4-6-10(9)14-13(17)11-7-8-12(18-2)16-15-11/h7-10H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide?
6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide is sourced from PubChem (CID 90509274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).