5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid

C15H14N6O2 — CID 122054893

IUPAC5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESN#Cc1cccc(N2CCN(c3cnc(C(=O)O)cn3)CC2)n1
InChIInChI=1S/C15H14N6O2/c16-8-11-2-1-3-13(19-11)20-4-6-21(7-5-20)14-10-17-12(9-18-14)15(22)23/h1-3,9-10H,4-7H2,(H,22,23)
InChIKeyGAEJMCCEOGANDC-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.77
Rot. Bonds3

About 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122054893) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122054893
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESN#Cc1cccc(N2CCN(c3cnc(C(=O)O)cn3)CC2)n1
InChIInChI=1S/C15H14N6O2/c16-8-11-2-1-3-13(19-11)20-4-6-21(7-5-20)14-10-17-12(9-18-14)15(22)23/h1-3,9-10H,4-7H2,(H,22,23)
InChIKeyGAEJMCCEOGANDC-UHFFFAOYSA-N
XLogP0.77
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 64590131
5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047657
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
5-(4-cyano-1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylic acid
CID 166240244
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea
CID 133392231
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
6-[4-(4-nitrobenzoyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 122132156
6-(4-methyl-3-oxopiperazin-1-yl)pyridine-2-carbonitrile
CID 64681399
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclobutanecarboxamide
CID 163357560

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122054893) is 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid is N#Cc1cccc(N2CCN(c3cnc(C(=O)O)cn3)CC2)n1.
What is the InChIKey of 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is GAEJMCCEOGANDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c16-8-11-2-1-3-13(19-11)20-4-6-21(7-5-20)14-10-17-12(9-18-14)15(22)23/h1-3,9-10H,4-7H2,(H,22,23).
What are the key properties of 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).