methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate

C14H20N4O2 — CID 66449740

IUPACmethyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H20N4O2/c1-20-14(19)12-8-15-9-13(16-12)18-7-4-11(10-18)17-5-2-3-6-17/h8-9,11H,2-7,10H2,1H3
InChIKeyTZOVCHLUPZVPRW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.94
Rot. Bonds3

About methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate

methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate (PubChem CID 66449740) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
PubChem CID66449740
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namemethyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H20N4O2/c1-20-14(19)12-8-15-9-13(16-12)18-7-4-11(10-18)17-5-2-3-6-17/h8-9,11H,2-7,10H2,1H3
InChIKeyTZOVCHLUPZVPRW-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate (CID 66449740) is methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCC(N3CCCC3)C2)n1.
What is the InChIKey of methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is TZOVCHLUPZVPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-14(19)12-8-15-9-13(16-12)18-7-4-11(10-18)17-5-2-3-6-17/h8-9,11H,2-7,10H2,1H3.
What are the key properties of methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate?
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66449740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).