methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate

C13H19N3O2 — CID 66456697

IUPACmethyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCC2CCCC2)n1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)11-8-14-9-12(16-11)15-7-6-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyJMQGEPISQZCUDT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.26
Rot. Bonds5

About methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate

methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate (PubChem CID 66456697) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
PubChem CID66456697
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCC2CCCC2)n1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)11-8-14-9-12(16-11)15-7-6-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyJMQGEPISQZCUDT-UHFFFAOYSA-N
XLogP2.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate (CID 66456697) is methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NCCC2CCCC2)n1.
What is the InChIKey of methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate?
The InChIKey is JMQGEPISQZCUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(17)11-8-14-9-12(16-11)15-7-6-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate?
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66456697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).