2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide

C23H20N6O — CID 46927212

IUPAC2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4ccnnc4)nc3)cc2C)ccn1
InChIInChI=1S/C23H20N6O/c1-15-9-17(12-26-23(15)18-5-7-24-16(2)10-18)11-22(30)29-20-3-4-21(25-14-20)19-6-8-27-28-13-19/h3-10,12-14H,11H2,1-2H3,(H,29,30)
InChIKeyDPJQOXVQNKUBFF-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.79
Rot. Bonds5

About 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide

2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide (PubChem CID 46927212) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide
PubChem CID46927212
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4ccnnc4)nc3)cc2C)ccn1
InChIInChI=1S/C23H20N6O/c1-15-9-17(12-26-23(15)18-5-7-24-16(2)10-18)11-22(30)29-20-3-4-21(25-14-20)19-6-8-27-28-13-19/h3-10,12-14H,11H2,1-2H3,(H,29,30)
InChIKeyDPJQOXVQNKUBFF-UHFFFAOYSA-N
XLogP3.79
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide (CID 46927212) is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide is Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4ccnnc4)nc3)cc2C)ccn1.
What is the InChIKey of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide?
The InChIKey is DPJQOXVQNKUBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-15-9-17(12-26-23(15)18-5-7-24-16(2)10-18)11-22(30)29-20-3-4-21(25-14-20)19-6-8-27-28-13-19/h3-10,12-14H,11H2,1-2H3,(H,29,30).
What are the key properties of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide?
2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 46927212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).