5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide

C23H22N6O — CID 109285493

IUPAC5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C23H22N6O/c24-14-19-8-4-5-9-20(19)27-23(30)21-15-26-22(16-25-21)29-12-10-28(11-13-29)17-18-6-2-1-3-7-18/h1-9,15-16H,10-13,17H2,(H,27,30)
InChIKeyNXYIRIDZYIJOHM-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.92
Rot. Bonds5

About 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide

5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide (PubChem CID 109285493) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
PubChem CID109285493
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C23H22N6O/c24-14-19-8-4-5-9-20(19)27-23(30)21-15-26-22(16-25-21)29-12-10-28(11-13-29)17-18-6-2-1-3-7-18/h1-9,15-16H,10-13,17H2,(H,27,30)
InChIKeyNXYIRIDZYIJOHM-UHFFFAOYSA-N
XLogP2.92
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272774
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109288490
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide (CID 109285493) is 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide is N#Cc1ccccc1NC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
The InChIKey is NXYIRIDZYIJOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-14-19-8-4-5-9-20(19)27-23(30)21-15-26-22(16-25-21)29-12-10-28(11-13-29)17-18-6-2-1-3-7-18/h1-9,15-16H,10-13,17H2,(H,27,30).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide?
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109285493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).