2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C22H18N6O — CID 58447654

IUPAC2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnnc1
InChIInChI=1S/C22H18N6O/c1-15-10-16(2-4-19(15)17-6-7-26-27-13-17)11-22(29)28-21-5-3-18(12-25-21)20-14-23-8-9-24-20/h2-10,12-14H,11H2,1H3,(H,25,28,29)
InChIKeyZKONYOBJCLDGBS-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.49
Rot. Bonds5

About 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 58447654) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID58447654
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnnc1
InChIInChI=1S/C22H18N6O/c1-15-10-16(2-4-19(15)17-6-7-26-27-13-17)11-22(29)28-21-5-3-18(12-25-21)20-14-23-8-9-24-20/h2-10,12-14H,11H2,1H3,(H,25,28,29)
InChIKeyZKONYOBJCLDGBS-UHFFFAOYSA-N
XLogP3.49
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 58447654) is 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cnccn3)cn2)ccc1-c1ccnnc1.
What is the InChIKey of 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is ZKONYOBJCLDGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-15-10-16(2-4-19(15)17-6-7-26-27-13-17)11-22(29)28-21-5-3-18(12-25-21)20-14-23-8-9-24-20/h2-10,12-14H,11H2,1H3,(H,25,28,29).
What are the key properties of 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 382.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-pyridazin-4-ylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).