6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide

C16H20N4O3 — CID 109113835

IUPAC6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2cc(C)ccc2OC)nn1
InChIInChI=1S/C16H20N4O3/c1-11-4-6-14(23-3)13(10-11)18-16(21)12-5-7-15(20-19-12)17-8-9-22-2/h4-7,10H,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLORVIIQKKRDTGF-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.10
Rot. Bonds7

About 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide

6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109113835) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
PubChem CID109113835
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2cc(C)ccc2OC)nn1
InChIInChI=1S/C16H20N4O3/c1-11-4-6-14(23-3)13(10-11)18-16(21)12-5-7-15(20-19-12)17-8-9-22-2/h4-7,10H,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLORVIIQKKRDTGF-UHFFFAOYSA-N
XLogP2.10
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide (CID 109113835) is 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide is COCCNc1ccc(C(=O)Nc2cc(C)ccc2OC)nn1.
What is the InChIKey of 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is LORVIIQKKRDTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-4-6-14(23-3)13(10-11)18-16(21)12-5-7-15(20-19-12)17-8-9-22-2/h4-7,10H,8-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109113835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).