ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate

C12H19N3O3 — CID 62939536

IUPACethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate
SMILESCCCn1ccnc(NC(C)C(=O)OCC)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-7-15-8-6-13-10(11(15)16)14-9(3)12(17)18-5-2/h6,8-9H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyQXGGRXLWENJESG-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.02
Rot. Bonds6

About ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate

ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate (PubChem CID 62939536) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate
PubChem CID62939536
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate
SMILESCCCn1ccnc(NC(C)C(=O)OCC)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-7-15-8-6-13-10(11(15)16)14-9(3)12(17)18-5-2/h6,8-9H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyQXGGRXLWENJESG-UHFFFAOYSA-N
XLogP1.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate (CID 62939536) is ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate is CCCn1ccnc(NC(C)C(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate?
The InChIKey is QXGGRXLWENJESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-7-15-8-6-13-10(11(15)16)14-9(3)12(17)18-5-2/h6,8-9H,4-5,7H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate?
ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-oxo-4-propylpyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 62939536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).