6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid

C11H10N4O3 — CID 155342249

IUPAC6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(C(=O)O)c(N2CCNC(=O)C2)n1
InChIInChI=1S/C11H10N4O3/c12-5-7-1-2-8(11(17)18)10(14-7)15-4-3-13-9(16)6-15/h1-2H,3-4,6H2,(H,13,16)(H,17,18)
InChIKeyCRQVXYWIHJMKSJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.41
Rot. Bonds2

About 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid

6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 155342249) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID155342249
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(C(=O)O)c(N2CCNC(=O)C2)n1
InChIInChI=1S/C11H10N4O3/c12-5-7-1-2-8(11(17)18)10(14-7)15-4-3-13-9(16)6-15/h1-2H,3-4,6H2,(H,13,16)(H,17,18)
InChIKeyCRQVXYWIHJMKSJ-UHFFFAOYSA-N
XLogP-0.41
TPSA106.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid (CID 155342249) is 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid is N#Cc1ccc(C(=O)O)c(N2CCNC(=O)C2)n1.
What is the InChIKey of 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is CRQVXYWIHJMKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-5-7-1-2-8(11(17)18)10(14-7)15-4-3-13-9(16)6-15/h1-2H,3-4,6H2,(H,13,16)(H,17,18).
What are the key properties of 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid?
6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-(3-oxopiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 155342249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).