ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate

C14H23N3O2 — CID 22278702

IUPACethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)cnc1CC
InChIInChI=1S/C14H23N3O2/c1-5-11-9-15-12(6-2)14(17-11)16-10(4)8-13(18)19-7-3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyZQMHEJAINFHBAR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.36
Rot. Bonds7

About ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate

ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate (PubChem CID 22278702) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate
PubChem CID22278702
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)cnc1CC
InChIInChI=1S/C14H23N3O2/c1-5-11-9-15-12(6-2)14(17-11)16-10(4)8-13(18)19-7-3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyZQMHEJAINFHBAR-UHFFFAOYSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate (CID 22278702) is ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate is CCOC(=O)CC(C)Nc1nc(CC)cnc1CC.
What is the InChIKey of ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate?
The InChIKey is ZQMHEJAINFHBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-11-9-15-12(6-2)14(17-11)16-10(4)8-13(18)19-7-3/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate?
ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate has a molecular weight of 265.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,6-diethylpyrazin-2-yl)amino]butanoate is sourced from PubChem (CID 22278702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).