2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C23H24N6O3 — CID 122192863

IUPAC2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)CC1
InChIInChI=1S/C23H24N6O3/c1-17(30)28-10-12-29(13-11-28)19-3-5-20(6-4-19)32-16-23(31)27-22-7-2-18(14-26-22)21-15-24-8-9-25-21/h2-9,14-15H,10-13,16H2,1H3,(H,26,27,31)
InChIKeyCDFKDSAHIOQTEA-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 122192863) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID122192863
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)CC1
InChIInChI=1S/C23H24N6O3/c1-17(30)28-10-12-29(13-11-28)19-3-5-20(6-4-19)32-16-23(31)27-22-7-2-18(14-26-22)21-15-24-8-9-25-21/h2-9,14-15H,10-13,16H2,1H3,(H,26,27,31)
InChIKeyCDFKDSAHIOQTEA-UHFFFAOYSA-N
XLogP2.22
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 122192863) is 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)CC1.
What is the InChIKey of 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is CDFKDSAHIOQTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-17(30)28-10-12-29(13-11-28)19-3-5-20(6-4-19)32-16-23(31)27-22-7-2-18(14-26-22)21-15-24-8-9-25-21/h2-9,14-15H,10-13,16H2,1H3,(H,26,27,31).
What are the key properties of 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylpiperazin-1-yl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 122192863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).