6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide

C14H15N3O2S — CID 90509597

IUPAC6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2SC)nn1
InChIInChI=1S/C14H15N3O2S/c1-3-19-13-9-8-11(16-17-13)14(18)15-10-6-4-5-7-12(10)20-2/h4-9H,3H2,1-2H3,(H,15,18)
InChIKeyJTDANPFKLHFIBX-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.85
Rot. Bonds5

About 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide

6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide (PubChem CID 90509597) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
PubChem CID90509597
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2SC)nn1
InChIInChI=1S/C14H15N3O2S/c1-3-19-13-9-8-11(16-17-13)14(18)15-10-6-4-5-7-12(10)20-2/h4-9H,3H2,1-2H3,(H,15,18)
InChIKeyJTDANPFKLHFIBX-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107643067
5-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107643013
6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
CID 90509622
N-(3,5-dimethylphenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509536
5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 81317409
N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
CID 90509599
N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide
CID 90509671
5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 113381839
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 90509660

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide (CID 90509597) is 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccccc2SC)nn1.
What is the InChIKey of 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide?
The InChIKey is JTDANPFKLHFIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-19-13-9-8-11(16-17-13)14(18)15-10-6-4-5-7-12(10)20-2/h4-9H,3H2,1-2H3,(H,15,18).
What are the key properties of 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide?
6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 90509597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).