methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate

C15H21N3O2 — CID 66450885

IUPACmethyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H21N3O2/c1-20-15(19)12-9-16-10-14(17-12)18-8-4-7-13(18)11-5-2-3-6-11/h9-11,13H,2-8H2,1H3
InChIKeyPEDAORGTJZYKCT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.42
Rot. Bonds3

About methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate

methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate (PubChem CID 66450885) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
PubChem CID66450885
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namemethyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H21N3O2/c1-20-15(19)12-9-16-10-14(17-12)18-8-4-7-13(18)11-5-2-3-6-11/h9-11,13H,2-8H2,1H3
InChIKeyPEDAORGTJZYKCT-UHFFFAOYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456369
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 2-[(2S)-2-cyclohexylpyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 164636830
methyl 6-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]pyridazine-3-carboxylate
CID 100899631
methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114221167
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine
CID 102728398
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456988
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate (CID 66450885) is methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is PEDAORGTJZYKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-15(19)12-9-16-10-14(17-12)18-8-4-7-13(18)11-5-2-3-6-11/h9-11,13H,2-8H2,1H3.
What are the key properties of methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate?
methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66450885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).