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

C19H20N4O5 — CID 18567398

IUPAC2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccnc2c1c(=O)n(CC(=O)Nc1cccc(OC)c1)c(=O)n2C
InChIInChI=1S/C19H20N4O5/c1-4-28-14-8-9-20-17-16(14)18(25)23(19(26)22(17)2)11-15(24)21-12-6-5-7-13(10-12)27-3/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyZQNAQWZDCGKPMO-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.14
Rot. Bonds6

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

2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 18567398) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID18567398
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccnc2c1c(=O)n(CC(=O)Nc1cccc(OC)c1)c(=O)n2C
InChIInChI=1S/C19H20N4O5/c1-4-28-14-8-9-20-17-16(14)18(25)23(19(26)22(17)2)11-15(24)21-12-6-5-7-13(10-12)27-3/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyZQNAQWZDCGKPMO-UHFFFAOYSA-N
XLogP1.14
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide (CID 18567398) is 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide is CCOc1ccnc2c1c(=O)n(CC(=O)Nc1cccc(OC)c1)c(=O)n2C.
What is the InChIKey of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is ZQNAQWZDCGKPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-4-28-14-8-9-20-17-16(14)18(25)23(19(26)22(17)2)11-15(24)21-12-6-5-7-13(10-12)27-3/h5-10H,4,11H2,1-3H3,(H,21,24).
What are the key properties of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide?
2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 384.39 g/mol, XLogP of 1.14, 6 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 18567398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).