6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide

C17H15N5O3 — CID 71805073

IUPAC6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)nn1
InChIInChI=1S/C17H15N5O3/c1-22-16(23)10-8-13(21-22)11-5-3-4-6-12(11)18-17(24)14-7-9-15(25-2)20-19-14/h3-10H,1-2H3,(H,18,24)
InChIKeyJQHCFJUMKMKQME-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.50
Rot. Bonds4

About 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide

6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 71805073) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide
PubChem CID71805073
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)nn1
InChIInChI=1S/C17H15N5O3/c1-22-16(23)10-8-13(21-22)11-5-3-4-6-12(11)18-17(24)14-7-9-15(25-2)20-19-14/h3-10H,1-2H3,(H,18,24)
InChIKeyJQHCFJUMKMKQME-UHFFFAOYSA-N
XLogP1.50
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide (CID 71805073) is 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)nn1.
What is the InChIKey of 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is JQHCFJUMKMKQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-22-16(23)10-8-13(21-22)11-5-3-4-6-12(11)18-17(24)14-7-9-15(25-2)20-19-14/h3-10H,1-2H3,(H,18,24).
What are the key properties of 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide?
6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71805073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).