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

C23H20N6O — CID 121237481

IUPAC2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1ccc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)cn1
InChIInChI=1S/C23H20N6O/c1-15-9-17(11-28-23(15)19-4-3-16(2)26-13-19)10-22(30)29-21-6-5-18(12-27-21)20-14-24-7-8-25-20/h3-9,11-14H,10H2,1-2H3,(H,27,29,30)
InChIKeyJRUJPWQYJMOGKB-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.79
Rot. Bonds5

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

2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121237481) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121237481
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1ccc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)cn1
InChIInChI=1S/C23H20N6O/c1-15-9-17(11-28-23(15)19-4-3-16(2)26-13-19)10-22(30)29-21-6-5-18(12-27-21)20-14-24-7-8-25-20/h3-9,11-14H,10H2,1-2H3,(H,27,29,30)
InChIKeyJRUJPWQYJMOGKB-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-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121237481) is 2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1ccc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)cn1.
What is the InChIKey of 2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is JRUJPWQYJMOGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-15-9-17(11-28-23(15)19-4-3-16(2)26-13-19)10-22(30)29-21-6-5-18(12-27-21)20-14-24-7-8-25-20/h3-9,11-14H,10H2,1-2H3,(H,27,29,30).
What are the key properties of 2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-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-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121237481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).