ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate

C15H24N4O3 — CID 69455727

IUPACethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)cnc(NCCC2CCCN2)c1=O
InChIInChI=1S/C15H24N4O3/c1-3-22-13(20)10-19-11(2)9-18-14(15(19)21)17-8-6-12-5-4-7-16-12/h9,12,16H,3-8,10H2,1-2H3,(H,17,18)
InChIKeySVQUIZWSIYAFKS-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.67
Rot. Bonds7

About ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate

ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate (PubChem CID 69455727) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate
PubChem CID69455727
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nameethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)cnc(NCCC2CCCN2)c1=O
InChIInChI=1S/C15H24N4O3/c1-3-22-13(20)10-19-11(2)9-18-14(15(19)21)17-8-6-12-5-4-7-16-12/h9,12,16H,3-8,10H2,1-2H3,(H,17,18)
InChIKeySVQUIZWSIYAFKS-UHFFFAOYSA-N
XLogP0.67
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate (CID 69455727) is ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate is CCOC(=O)Cn1c(C)cnc(NCCC2CCCN2)c1=O.
What is the InChIKey of ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate?
The InChIKey is SVQUIZWSIYAFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-22-13(20)10-19-11(2)9-18-14(15(19)21)17-8-6-12-5-4-7-16-12/h9,12,16H,3-8,10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate?
ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate has a molecular weight of 308.38 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-methyl-2-oxo-3-(2-pyrrolidin-2-ylethylamino)pyrazin-1-yl]acetate is sourced from PubChem (CID 69455727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).