6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione

C13H12N4O4 — CID 118441402

IUPAC6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione
SMILESCN1C(=O)CCC(N2C(=O)Cc3nccnc3C2=O)C1=O
InChIInChI=1S/C13H12N4O4/c1-16-9(18)3-2-8(12(16)20)17-10(19)6-7-11(13(17)21)15-5-4-14-7/h4-5,8H,2-3,6H2,1H3
InChIKeyVQFCNEDTXGURGO-UHFFFAOYSA-N
MW288.26 g/mol
LogP-0.85
Rot. Bonds1

About 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione

6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione (PubChem CID 118441402) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione
PubChem CID118441402
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione
SMILESCN1C(=O)CCC(N2C(=O)Cc3nccnc3C2=O)C1=O
InChIInChI=1S/C13H12N4O4/c1-16-9(18)3-2-8(12(16)20)17-10(19)6-7-11(13(17)21)15-5-4-14-7/h4-5,8H,2-3,6H2,1H3
InChIKeyVQFCNEDTXGURGO-UHFFFAOYSA-N
XLogP-0.85
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione (CID 118441402) is 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione is CN1C(=O)CCC(N2C(=O)Cc3nccnc3C2=O)C1=O.
What is the InChIKey of 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione?
The InChIKey is VQFCNEDTXGURGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-16-9(18)3-2-8(12(16)20)17-10(19)6-7-11(13(17)21)15-5-4-14-7/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione?
6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione has a molecular weight of 288.26 g/mol, XLogP of -0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-2,6-dioxopiperidin-3-yl)-8H-pyrido[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 118441402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).