2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one

C17H22N4O3 — CID 46343992

IUPAC2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
SMILESCCOc1nc2cccnc2n(C(CC)C(=O)N2CCCC2)c1=O
InChIInChI=1S/C17H22N4O3/c1-3-13(16(22)20-10-5-6-11-20)21-14-12(8-7-9-18-14)19-15(17(21)23)24-4-2/h7-9,13H,3-6,10-11H2,1-2H3
InChIKeyRHKOKUASLFYRTP-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.76
Rot. Bonds5

About 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one

2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 46343992) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
PubChem CID46343992
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
SMILESCCOc1nc2cccnc2n(C(CC)C(=O)N2CCCC2)c1=O
InChIInChI=1S/C17H22N4O3/c1-3-13(16(22)20-10-5-6-11-20)21-14-12(8-7-9-18-14)19-15(17(21)23)24-4-2/h7-9,13H,3-6,10-11H2,1-2H3
InChIKeyRHKOKUASLFYRTP-UHFFFAOYSA-N
XLogP1.76
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one (CID 46343992) is 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one is CCOc1nc2cccnc2n(C(CC)C(=O)N2CCCC2)c1=O.
What is the InChIKey of 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is RHKOKUASLFYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-13(16(22)20-10-5-6-11-20)21-14-12(8-7-9-18-14)19-15(17(21)23)24-4-2/h7-9,13H,3-6,10-11H2,1-2H3.
What are the key properties of 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one?
2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 330.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 46343992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).