2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide

C24H18N6O — CID 58447714

IUPAC2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)nc3)cc2C#N)ccn1
InChIInChI=1S/C24H18N6O/c1-16-10-18(6-7-27-16)21-4-2-17(11-19(21)13-25)12-24(31)30-20-3-5-22(29-14-20)23-15-26-8-9-28-23/h2-11,14-15H,12H2,1H3,(H,30,31)
InChIKeyXQMYOCSFGHQBSI-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.96
Rot. Bonds5

About 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide

2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide (PubChem CID 58447714) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
PubChem CID58447714
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)nc3)cc2C#N)ccn1
InChIInChI=1S/C24H18N6O/c1-16-10-18(6-7-27-16)21-4-2-17(11-19(21)13-25)12-24(31)30-20-3-5-22(29-14-20)23-15-26-8-9-28-23/h2-11,14-15H,12H2,1H3,(H,30,31)
InChIKeyXQMYOCSFGHQBSI-UHFFFAOYSA-N
XLogP3.96
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide (CID 58447714) is 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)nc3)cc2C#N)ccn1.
What is the InChIKey of 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide?
The InChIKey is XQMYOCSFGHQBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O/c1-16-10-18(6-7-27-16)21-4-2-17(11-19(21)13-25)12-24(31)30-20-3-5-22(29-14-20)23-15-26-8-9-28-23/h2-11,14-15H,12H2,1H3,(H,30,31).
What are the key properties of 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide?
2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide has a molecular weight of 406.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 58447714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).