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

C17H16N6O2 — CID 109279021

IUPACN-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(N3CCN(C=O)CC3)cn2)cc1
InChIInChI=1S/C17H16N6O2/c18-9-13-1-3-14(4-2-13)21-17(25)15-10-20-16(11-19-15)23-7-5-22(12-24)6-8-23/h1-4,10-12H,5-8H2,(H,21,25)
InChIKeyAXXFXFHAYBZZSX-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.88
Rot. Bonds4

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

N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109279021) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109279021
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(N3CCN(C=O)CC3)cn2)cc1
InChIInChI=1S/C17H16N6O2/c18-9-13-1-3-14(4-2-13)21-17(25)15-10-20-16(11-19-15)23-7-5-22(12-24)6-8-23/h1-4,10-12H,5-8H2,(H,21,25)
InChIKeyAXXFXFHAYBZZSX-UHFFFAOYSA-N
XLogP0.88
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
5-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109278987
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109288490
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109187203
N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279005
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109278953
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109278980
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109279021) is N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide is N#Cc1ccc(NC(=O)c2cnc(N3CCN(C=O)CC3)cn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is AXXFXFHAYBZZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-9-13-1-3-14(4-2-13)21-17(25)15-10-20-16(11-19-15)23-7-5-22(12-24)6-8-23/h1-4,10-12H,5-8H2,(H,21,25).
What are the key properties of N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).