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

C14H22N4O3 — CID 58869685

IUPACethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)cnc(NCC2CCCN2)c1=O
InChIInChI=1S/C14H22N4O3/c1-3-21-12(19)9-18-10(2)7-16-13(14(18)20)17-8-11-5-4-6-15-11/h7,11,15H,3-6,8-9H2,1-2H3,(H,16,17)
InChIKeyFXYDXFBBTDYUAH-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.28
Rot. Bonds6

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

ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate (PubChem CID 58869685) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate
PubChem CID58869685
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nameethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)cnc(NCC2CCCN2)c1=O
InChIInChI=1S/C14H22N4O3/c1-3-21-12(19)9-18-10(2)7-16-13(14(18)20)17-8-11-5-4-6-15-11/h7,11,15H,3-6,8-9H2,1-2H3,(H,16,17)
InChIKeyFXYDXFBBTDYUAH-UHFFFAOYSA-N
XLogP0.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.28
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-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate (CID 58869685) is ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate is CCOC(=O)Cn1c(C)cnc(NCC2CCCN2)c1=O.
What is the InChIKey of ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate?
The InChIKey is FXYDXFBBTDYUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-21-12(19)9-18-10(2)7-16-13(14(18)20)17-8-11-5-4-6-15-11/h7,11,15H,3-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate?
ethyl 2-[6-methyl-2-oxo-3-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate has a molecular weight of 294.36 g/mol, XLogP of 0.28, 6 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-(pyrrolidin-2-ylmethylamino)pyrazin-1-yl]acetate is sourced from PubChem (CID 58869685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).