4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide

C22H23N5O — CID 118723887

IUPAC4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide
SMILESCN1CCN(c2ccc(-c3cncc(-c4ccc(C(N)=O)cc4)n3)cc2)CC1
InChIInChI=1S/C22H23N5O/c1-26-10-12-27(13-11-26)19-8-6-17(7-9-19)21-15-24-14-20(25-21)16-2-4-18(5-3-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28)
InChIKeyAUAKZLYDLOTUSN-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.66
Rot. Bonds4

About 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide

4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide (PubChem CID 118723887) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide
PubChem CID118723887
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide
SMILESCN1CCN(c2ccc(-c3cncc(-c4ccc(C(N)=O)cc4)n3)cc2)CC1
InChIInChI=1S/C22H23N5O/c1-26-10-12-27(13-11-26)19-8-6-17(7-9-19)21-15-24-14-20(25-21)16-2-4-18(5-3-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28)
InChIKeyAUAKZLYDLOTUSN-UHFFFAOYSA-N
XLogP2.66
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide (CID 118723887) is 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide is CN1CCN(c2ccc(-c3cncc(-c4ccc(C(N)=O)cc4)n3)cc2)CC1.
What is the InChIKey of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide?
The InChIKey is AUAKZLYDLOTUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26-10-12-27(13-11-26)19-8-6-17(7-9-19)21-15-24-14-20(25-21)16-2-4-18(5-3-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28).
What are the key properties of 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide?
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 118723887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).