3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid

C11H11F2N3O3 — CID 114226182

IUPAC3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H11F2N3O3/c12-11(13)2-1-6(5-11)9(17)16-8-7(10(18)19)14-3-4-15-8/h3-4,6H,1-2,5H2,(H,18,19)(H,15,16,17)
InChIKeyVLYKYOLEBJLADR-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.55
Rot. Bonds3

About 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid

3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 114226182) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID114226182
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C11H11F2N3O3/c12-11(13)2-1-6(5-11)9(17)16-8-7(10(18)19)14-3-4-15-8/h3-4,6H,1-2,5H2,(H,18,19)(H,15,16,17)
InChIKeyVLYKYOLEBJLADR-UHFFFAOYSA-N
XLogP1.55
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid (CID 114226182) is 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NC(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is VLYKYOLEBJLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3/c12-11(13)2-1-6(5-11)9(17)16-8-7(10(18)19)14-3-4-15-8/h3-4,6H,1-2,5H2,(H,18,19)(H,15,16,17).
What are the key properties of 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid?
3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 271.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 114226182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).