2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide

C24H21N5O — CID 58447792

IUPAC2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cc3)cc2C)ccn1
InChIInChI=1S/C24H21N5O/c1-16-11-18(14-28-24(16)20-7-8-26-17(2)12-20)13-23(30)29-21-5-3-19(4-6-21)22-15-25-9-10-27-22/h3-12,14-15H,13H2,1-2H3,(H,29,30)
InChIKeyPMPBKLBTJZGBLC-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.40
Rot. Bonds5

About 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide

2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide (PubChem CID 58447792) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide
PubChem CID58447792
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cc3)cc2C)ccn1
InChIInChI=1S/C24H21N5O/c1-16-11-18(14-28-24(16)20-7-8-26-17(2)12-20)13-23(30)29-21-5-3-19(4-6-21)22-15-25-9-10-27-22/h3-12,14-15H,13H2,1-2H3,(H,29,30)
InChIKeyPMPBKLBTJZGBLC-UHFFFAOYSA-N
XLogP4.40
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide?
The IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide (CID 58447792) is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide?
The canonical SMILES for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide is Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cc3)cc2C)ccn1.
What is the InChIKey of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide?
The InChIKey is PMPBKLBTJZGBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-16-11-18(14-28-24(16)20-7-8-26-17(2)12-20)13-23(30)29-21-5-3-19(4-6-21)22-15-25-9-10-27-22/h3-12,14-15H,13H2,1-2H3,(H,29,30).
What are the key properties of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide?
2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide has a molecular weight of 395.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(4-pyrazin-2-ylphenyl)acetamide is sourced from PubChem (CID 58447792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).