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

C19H19FN4O4 — CID 18567420

IUPAC2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCOc1ccnc2c1c(=O)n(CC(=O)NCc1ccc(F)cc1)c(=O)n2C
InChIInChI=1S/C19H19FN4O4/c1-3-28-14-8-9-21-17-16(14)18(26)24(19(27)23(17)2)11-15(25)22-10-12-4-6-13(20)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,22,25)
InChIKeyYCOJDCCHMYABAI-UHFFFAOYSA-N
MW386.38 g/mol
LogP0.95
Rot. Bonds6

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

2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 18567420) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID18567420
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCOc1ccnc2c1c(=O)n(CC(=O)NCc1ccc(F)cc1)c(=O)n2C
InChIInChI=1S/C19H19FN4O4/c1-3-28-14-8-9-21-17-16(14)18(26)24(19(27)23(17)2)11-15(25)22-10-12-4-6-13(20)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,22,25)
InChIKeyYCOJDCCHMYABAI-UHFFFAOYSA-N
XLogP0.95
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 50.95
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)methyl]acetamide?
The IUPAC name of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 18567420) is 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is CCOc1ccnc2c1c(=O)n(CC(=O)NCc1ccc(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)methyl]acetamide?
The InChIKey is YCOJDCCHMYABAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-3-28-14-8-9-21-17-16(14)18(26)24(19(27)23(17)2)11-15(25)22-10-12-4-6-13(20)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,22,25).
What are the key properties of 2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 386.38 g/mol, XLogP of 0.95, 6 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)methyl]acetamide is sourced from PubChem (CID 18567420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).