1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid

C14H16N4O4 — CID 170238575

IUPAC1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1c(=O)c(=O)n(C2CCNCC2)c2ncc(C(=O)O)cc21
InChIInChI=1S/C14H16N4O4/c1-17-10-6-8(14(21)22)7-16-11(10)18(13(20)12(17)19)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3,(H,21,22)
InChIKeyNUWANYMOHSHPHN-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.28
Rot. Bonds2

About 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid

1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 170238575) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
PubChem CID170238575
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1c(=O)c(=O)n(C2CCNCC2)c2ncc(C(=O)O)cc21
InChIInChI=1S/C14H16N4O4/c1-17-10-6-8(14(21)22)7-16-11(10)18(13(20)12(17)19)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3,(H,21,22)
InChIKeyNUWANYMOHSHPHN-UHFFFAOYSA-N
XLogP-0.28
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Brd5529
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5-[(4-Bromobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid (CID 170238575) is 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid is Cn1c(=O)c(=O)n(C2CCNCC2)c2ncc(C(=O)O)cc21.
What is the InChIKey of 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is NUWANYMOHSHPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-17-10-6-8(14(21)22)7-16-11(10)18(13(20)12(17)19)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3,(H,21,22).
What are the key properties of 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?
1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dioxo-4-piperidin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 170238575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).