2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C23H19N5O2 — CID 122192849

IUPAC2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2cccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1
InChIInChI=1S/C23H19N5O2/c1-16-11-18(7-8-25-16)17-3-2-4-20(12-17)30-15-23(29)28-22-6-5-19(13-27-22)21-14-24-9-10-26-21/h2-14H,15H2,1H3,(H,27,28,29)
InChIKeyOTMNHPNLJNXPDA-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.93
Rot. Bonds6

About 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 122192849) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID122192849
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2cccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1
InChIInChI=1S/C23H19N5O2/c1-16-11-18(7-8-25-16)17-3-2-4-20(12-17)30-15-23(29)28-22-6-5-19(13-27-22)21-14-24-9-10-26-21/h2-14H,15H2,1H3,(H,27,28,29)
InChIKeyOTMNHPNLJNXPDA-UHFFFAOYSA-N
XLogP3.93
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 122192849) is 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2cccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1.
What is the InChIKey of 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is OTMNHPNLJNXPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-16-11-18(7-8-25-16)17-3-2-4-20(12-17)30-15-23(29)28-22-6-5-19(13-27-22)21-14-24-9-10-26-21/h2-14H,15H2,1H3,(H,27,28,29).
What are the key properties of 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 397.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 122192849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).