6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

C14H18N4O3 — CID 175576452

IUPAC6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1ccc2[nH]c(=O)c(=O)n(C3CCN(C)CC3)c2n1
InChIInChI=1S/C14H18N4O3/c1-17-7-5-9(6-8-17)18-12-10(15-13(19)14(18)20)3-4-11(16-12)21-2/h3-4,9H,5-8H2,1-2H3,(H,15,19)
InChIKeyWVWAPVXQLTZRGN-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.36
Rot. Bonds2

About 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 175576452) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID175576452
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1ccc2[nH]c(=O)c(=O)n(C3CCN(C)CC3)c2n1
InChIInChI=1S/C14H18N4O3/c1-17-7-5-9(6-8-17)18-12-10(15-13(19)14(18)20)3-4-11(16-12)21-2/h3-4,9H,5-8H2,1-2H3,(H,15,19)
InChIKeyWVWAPVXQLTZRGN-UHFFFAOYSA-N
XLogP0.36
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 175576452) is 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is COc1ccc2[nH]c(=O)c(=O)n(C3CCN(C)CC3)c2n1.
What is the InChIKey of 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is WVWAPVXQLTZRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-17-7-5-9(6-8-17)18-12-10(15-13(19)14(18)20)3-4-11(16-12)21-2/h3-4,9H,5-8H2,1-2H3,(H,15,19).
What are the key properties of 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 290.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 175576452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).