3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid

C12H15N3O3 — CID 55168040

IUPAC3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)C1CCCCC1
InChIInChI=1S/C12H15N3O3/c16-11(8-4-2-1-3-5-8)15-10-9(12(17)18)13-6-7-14-10/h6-8H,1-5H2,(H,17,18)(H,14,15,16)
InChIKeyDJSCEZMLGQLHSV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.69
Rot. Bonds3

About 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid

3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid (PubChem CID 55168040) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid
PubChem CID55168040
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)C1CCCCC1
InChIInChI=1S/C12H15N3O3/c16-11(8-4-2-1-3-5-8)15-10-9(12(17)18)13-6-7-14-10/h6-8H,1-5H2,(H,17,18)(H,14,15,16)
InChIKeyDJSCEZMLGQLHSV-UHFFFAOYSA-N
XLogP1.69
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid (CID 55168040) is 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NC(=O)C1CCCCC1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid?
The InChIKey is DJSCEZMLGQLHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(8-4-2-1-3-5-8)15-10-9(12(17)18)13-6-7-14-10/h6-8H,1-5H2,(H,17,18)(H,14,15,16).
What are the key properties of 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid?
3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55168040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).