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

C18H17FN4O4 — CID 18567395

IUPAC2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C
InChIInChI=1S/C18H17FN4O4/c1-3-27-13-8-9-20-16-15(13)17(25)23(18(26)22(16)2)10-14(24)21-12-6-4-11(19)5-7-12/h4-9H,3,10H2,1-2H3,(H,21,24)
InChIKeyRGZNKBDDMBMIEF-UHFFFAOYSA-N
MW372.36 g/mol
LogP1.27
Rot. Bonds5

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

2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 18567395) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID18567395
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C
InChIInChI=1S/C18H17FN4O4/c1-3-27-13-8-9-20-16-15(13)17(25)23(18(26)22(16)2)10-14(24)21-12-6-4-11(19)5-7-12/h4-9H,3,10H2,1-2H3,(H,21,24)
InChIKeyRGZNKBDDMBMIEF-UHFFFAOYSA-N
XLogP1.27
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide (CID 18567395) is 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide is CCOc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C.
What is the InChIKey of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is RGZNKBDDMBMIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-3-27-13-8-9-20-16-15(13)17(25)23(18(26)22(16)2)10-14(24)21-12-6-4-11(19)5-7-12/h4-9H,3,10H2,1-2H3,(H,21,24).
What are the key properties of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 372.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 18567395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).