ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate

C17H26N4O3 — CID 142077513

IUPACethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)CCCCc1ccc2c(n1)NCCN2
InChIInChI=1S/C17H26N4O3/c1-2-24-16(23)9-10-19-15(22)6-4-3-5-13-7-8-14-17(21-13)20-12-11-18-14/h7-8,18H,2-6,9-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyFBMHBJFRSKCLBE-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.70
Rot. Bonds9

About ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate

ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate (PubChem CID 142077513) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate
PubChem CID142077513
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)CCCCc1ccc2c(n1)NCCN2
InChIInChI=1S/C17H26N4O3/c1-2-24-16(23)9-10-19-15(22)6-4-3-5-13-7-8-14-17(21-13)20-12-11-18-14/h7-8,18H,2-6,9-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyFBMHBJFRSKCLBE-UHFFFAOYSA-N
XLogP1.70
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate?
The IUPAC name of ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate (CID 142077513) is ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate.
What is the SMILES notation for ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate?
The canonical SMILES for ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate is CCOC(=O)CCNC(=O)CCCCc1ccc2c(n1)NCCN2.
What is the InChIKey of ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate?
The InChIKey is FBMHBJFRSKCLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-24-16(23)9-10-19-15(22)6-4-3-5-13-7-8-14-17(21-13)20-12-11-18-14/h7-8,18H,2-6,9-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate?
ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate has a molecular weight of 334.42 g/mol, XLogP of 1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)pentanoylamino]propanoate is sourced from PubChem (CID 142077513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).