2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide

C15H20N4O5 — CID 16801617

IUPAC2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccnc2c1c(=O)n(CC(=O)NCCOC)c(=O)n2C
InChIInChI=1S/C15H20N4O5/c1-4-24-10-5-6-17-13-12(10)14(21)19(15(22)18(13)2)9-11(20)16-7-8-23-3/h5-6H,4,7-9H2,1-3H3,(H,16,20)
InChIKeyKUBIXJSMZUCAPQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP-0.74
Rot. Bonds7

About 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide

2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 16801617) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID16801617
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccnc2c1c(=O)n(CC(=O)NCCOC)c(=O)n2C
InChIInChI=1S/C15H20N4O5/c1-4-24-10-5-6-17-13-12(10)14(21)19(15(22)18(13)2)9-11(20)16-7-8-23-3/h5-6H,4,7-9H2,1-3H3,(H,16,20)
InChIKeyKUBIXJSMZUCAPQ-UHFFFAOYSA-N
XLogP-0.74
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide (CID 16801617) is 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide is CCOc1ccnc2c1c(=O)n(CC(=O)NCCOC)c(=O)n2C.
What is the InChIKey of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is KUBIXJSMZUCAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-4-24-10-5-6-17-13-12(10)14(21)19(15(22)18(13)2)9-11(20)16-7-8-23-3/h5-6H,4,7-9H2,1-3H3,(H,16,20).
What are the key properties of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide?
2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 336.35 g/mol, XLogP of -0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 16801617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).