2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C23H20N6O — CID 122192864

IUPAC2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(NCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C23H20N6O/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)27-15-23(30)29-22-7-4-19(13-28-22)21-14-24-10-11-26-21/h2-14,27H,15H2,1H3,(H,28,29,30)
InChIKeyQPKDWTFJVUOZOM-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.96
Rot. Bonds6

About 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 122192864) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID122192864
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(NCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C23H20N6O/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)27-15-23(30)29-22-7-4-19(13-28-22)21-14-24-10-11-26-21/h2-14,27H,15H2,1H3,(H,28,29,30)
InChIKeyQPKDWTFJVUOZOM-UHFFFAOYSA-N
XLogP3.96
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 122192864) is 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2ccc(NCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is QPKDWTFJVUOZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)27-15-23(30)29-22-7-4-19(13-28-22)21-14-24-10-11-26-21/h2-14,27H,15H2,1H3,(H,28,29,30).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 122192864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).