2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide

C14H18N4O4 — CID 20955233

IUPAC2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide
SMILESCCOc1nc2cccnc2n(CC(=O)NCCOC)c1=O
InChIInChI=1S/C14H18N4O4/c1-3-22-13-14(20)18(9-11(19)15-7-8-21-2)12-10(17-13)5-4-6-16-12/h4-6H,3,7-9H2,1-2H3,(H,15,19)
InChIKeyBRZCDZFNGNYCLA-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.05
Rot. Bonds7

About 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide

2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 20955233) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide
PubChem CID20955233
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide
SMILESCCOc1nc2cccnc2n(CC(=O)NCCOC)c1=O
InChIInChI=1S/C14H18N4O4/c1-3-22-13-14(20)18(9-11(19)15-7-8-21-2)12-10(17-13)5-4-6-16-12/h4-6H,3,7-9H2,1-2H3,(H,15,19)
InChIKeyBRZCDZFNGNYCLA-UHFFFAOYSA-N
XLogP-0.05
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide (CID 20955233) is 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide is CCOc1nc2cccnc2n(CC(=O)NCCOC)c1=O.
What is the InChIKey of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is BRZCDZFNGNYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-3-22-13-14(20)18(9-11(19)15-7-8-21-2)12-10(17-13)5-4-6-16-12/h4-6H,3,7-9H2,1-2H3,(H,15,19).
What are the key properties of 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide?
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 306.32 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 20955233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).