3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid

C14H19N3O2 — CID 55107548

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCC(Nc1nccnc1C(=O)O)C1CC2CCC1C2
InChIInChI=1S/C14H19N3O2/c1-8(11-7-9-2-3-10(11)6-9)17-13-12(14(18)19)15-4-5-16-13/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyUHVGLYKDBWHMJP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.41
Rot. Bonds4

About 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid

3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 55107548) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID55107548
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCC(Nc1nccnc1C(=O)O)C1CC2CCC1C2
InChIInChI=1S/C14H19N3O2/c1-8(11-7-9-2-3-10(11)6-9)17-13-12(14(18)19)15-4-5-16-13/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyUHVGLYKDBWHMJP-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid (CID 55107548) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid is CC(Nc1nccnc1C(=O)O)C1CC2CCC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is UHVGLYKDBWHMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(11-7-9-2-3-10(11)6-9)17-13-12(14(18)19)15-4-5-16-13/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 55107548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).