3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid

C11H13N3O3 — CID 55168041

IUPAC3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)C1CCCC1
InChIInChI=1S/C11H13N3O3/c15-10(7-3-1-2-4-7)14-9-8(11(16)17)12-5-6-13-9/h5-7H,1-4H2,(H,16,17)(H,13,14,15)
InChIKeyKFHCPJYOYOLCLV-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.30
Rot. Bonds3

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

3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid (PubChem CID 55168041) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid
PubChem CID55168041
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)C1CCCC1
InChIInChI=1S/C11H13N3O3/c15-10(7-3-1-2-4-7)14-9-8(11(16)17)12-5-6-13-9/h5-7H,1-4H2,(H,16,17)(H,13,14,15)
InChIKeyKFHCPJYOYOLCLV-UHFFFAOYSA-N
XLogP1.30
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid (CID 55168041) is 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NC(=O)C1CCCC1.
What is the InChIKey of 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid?
The InChIKey is KFHCPJYOYOLCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(7-3-1-2-4-7)14-9-8(11(16)17)12-5-6-13-9/h5-7H,1-4H2,(H,16,17)(H,13,14,15).
What are the key properties of 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid?
3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55168041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).