2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide

C22H16F2N4O3 — CID 18569389

IUPAC2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1ccc(F)cc1F
InChIInChI=1S/C22H16F2N4O3/c23-15-8-9-17(16(24)11-15)26-19(29)13-27-18-7-4-10-25-20(18)21(30)28(22(27)31)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,26,29)
InChIKeyAGBXQKGETCOCHJ-UHFFFAOYSA-N
MW422.39 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide

2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 18569389) has the molecular formula C22H16F2N4O3 and a molecular weight of 422.39 g/mol. Its IUPAC name is 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID18569389
Molecular FormulaC22H16F2N4O3
Molecular Weight422.39 g/mol
Exact Mass422.12
IUPAC Name2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1ccc(F)cc1F
InChIInChI=1S/C22H16F2N4O3/c23-15-8-9-17(16(24)11-15)26-19(29)13-27-18-7-4-10-25-20(18)21(30)28(22(27)31)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,26,29)
InChIKeyAGBXQKGETCOCHJ-UHFFFAOYSA-N
XLogP2.52
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide (CID 18569389) is 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide is O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is AGBXQKGETCOCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O3/c23-15-8-9-17(16(24)11-15)26-19(29)13-27-18-7-4-10-25-20(18)21(30)28(22(27)31)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,26,29).
What are the key properties of 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide?
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 422.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 18569389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).