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

C22H17FN4O3 — CID 41233349

IUPAC2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1ccccc1F
InChIInChI=1S/C22H17FN4O3/c23-16-9-4-5-10-17(16)25-19(28)14-26-18-11-6-12-24-20(18)21(29)27(22(26)30)13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,25,28)
InChIKeyFDTUMYOXUKLDFG-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.38
Rot. Bonds5

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

2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 41233349) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID41233349
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1ccccc1F
InChIInChI=1S/C22H17FN4O3/c23-16-9-4-5-10-17(16)25-19(28)14-26-18-11-6-12-24-20(18)21(29)27(22(26)30)13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,25,28)
InChIKeyFDTUMYOXUKLDFG-UHFFFAOYSA-N
XLogP2.38
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 27655945
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
N-(2,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 18569554
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18569546
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16801730
N-(2,5-dichlorophenyl)-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951972
3-benzyl-1-[(2-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233378
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951854
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505531
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41240480
4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide
CID 27555504

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide (CID 41233349) is 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide is O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1ccccc1F.
What is the InChIKey of 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is FDTUMYOXUKLDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-16-9-4-5-10-17(16)25-19(28)14-26-18-11-6-12-24-20(18)21(29)27(22(26)30)13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,25,28).
What are the key properties of 2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 404.40 g/mol, XLogP of 2.38, 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-fluorophenyl)acetamide is sourced from PubChem (CID 41233349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).