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

C21H19N7O — CID 109286642

IUPACN-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(N3CCN(c4ccccn4)CC3)cn2)cc1
InChIInChI=1S/C21H19N7O/c22-13-16-4-6-17(7-5-16)26-21(29)18-14-25-20(15-24-18)28-11-9-27(10-12-28)19-3-1-2-8-23-19/h1-8,14-15H,9-12H2,(H,26,29)
InChIKeyDOSHOFVPRXGIIP-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.32
Rot. Bonds4

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

N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109286642) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109286642
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(N3CCN(c4ccccn4)CC3)cn2)cc1
InChIInChI=1S/C21H19N7O/c22-13-16-4-6-17(7-5-16)26-21(29)18-14-25-20(15-24-18)28-11-9-27(10-12-28)19-3-1-2-8-23-19/h1-8,14-15H,9-12H2,(H,26,29)
InChIKeyDOSHOFVPRXGIIP-UHFFFAOYSA-N
XLogP2.32
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279021
N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109216287
N-(3,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286623
5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109288490
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950946
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
N-(4-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124224
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109286642) is N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide is N#Cc1ccc(NC(=O)c2cnc(N3CCN(c4ccccn4)CC3)cn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is DOSHOFVPRXGIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c22-13-16-4-6-17(7-5-16)26-21(29)18-14-25-20(15-24-18)28-11-9-27(10-12-28)19-3-1-2-8-23-19/h1-8,14-15H,9-12H2,(H,26,29).
What are the key properties of N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109286642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).