3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid

C13H15N3O3 — CID 63261862

IUPAC3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C13H15N3O3/c17-12(9-6-7-1-2-8(9)5-7)16-11-10(13(18)19)14-3-4-15-11/h3-4,7-9H,1-2,5-6H2,(H,18,19)(H,15,16,17)
InChIKeyFOUNLTUAUBXZEQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.55
Rot. Bonds3

About 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid

3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid (PubChem CID 63261862) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid
PubChem CID63261862
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C13H15N3O3/c17-12(9-6-7-1-2-8(9)5-7)16-11-10(13(18)19)14-3-4-15-11/h3-4,7-9H,1-2,5-6H2,(H,18,19)(H,15,16,17)
InChIKeyFOUNLTUAUBXZEQ-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 ≤ 500261.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sodium 3-amino-5-(cyclohexanecarbonylamino)pyrazine-2-carboxylate
CID 168284357
3-[(3-Cyclopentylpropyl)amino]pyrazine-2-carboxylic acid
CID 114136465
3-[(4,4-Difluorocyclohexanecarbonyl)amino]pyrazine-2-carboxylic acid
CID 81930282
3-[(3,3-Difluorocyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid
CID 114226182
3-Amino-5-(cyclohexanecarbonylamino)pyrazine-2-carboxylic acid
CID 168284358
3-(Cyclohexanecarbonylamino)pyrazine-2-carboxylic acid
CID 55168040
3-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid
CID 55107548
3-(2-Cyclohexylethylamino)pyrazine-2-carboxylic acid
CID 55107931
3-(Cyclopentanecarbonylamino)pyrazine-2-carboxylic acid
CID 55168041
3-(2-Methylpentanoylamino)pyrazine-2-carboxylic acid
CID 55169183
3-(2-Ethylhexanoylamino)pyrazine-2-carboxylic acid
CID 55169185
3-(Octanoylamino)pyrazine-2-carboxylic acid
CID 55169374

Frequently Asked Questions

What is the IUPAC name of 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid (CID 63261862) is 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NC(=O)C1CC2CCC1C2.
What is the InChIKey of 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid?
The InChIKey is FOUNLTUAUBXZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12(9-6-7-1-2-8(9)5-7)16-11-10(13(18)19)14-3-4-15-11/h3-4,7-9H,1-2,5-6H2,(H,18,19)(H,15,16,17).
What are the key properties of 3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid?
3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid has a molecular weight of 261.28 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-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63261862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).