4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide

C23H18FN5O4 — CID 27555504

IUPAC4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C23H18FN5O4/c24-16-7-3-14(4-8-16)12-29-22(32)20-18(2-1-11-26-20)28(23(29)33)13-19(30)27-17-9-5-15(6-10-17)21(25)31/h1-11H,12-13H2,(H2,25,31)(H,27,30)
InChIKeyARFYUXLMYMQAAO-UHFFFAOYSA-N
MW447.43 g/mol
LogP1.48
Rot. Bonds6

About 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide

4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide (PubChem CID 27555504) has the molecular formula C23H18FN5O4 and a molecular weight of 447.43 g/mol. Its IUPAC name is 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide
PubChem CID27555504
Molecular FormulaC23H18FN5O4
Molecular Weight447.43 g/mol
Exact Mass447.13
IUPAC Name4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C23H18FN5O4/c24-16-7-3-14(4-8-16)12-29-22(32)20-18(2-1-11-26-20)28(23(29)33)13-19(30)27-17-9-5-15(6-10-17)21(25)31/h1-11H,12-13H2,(H2,25,31)(H,27,30)
InChIKeyARFYUXLMYMQAAO-UHFFFAOYSA-N
XLogP1.48
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide (CID 27555504) is 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1.
What is the InChIKey of 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide?
The InChIKey is ARFYUXLMYMQAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O4/c24-16-7-3-14(4-8-16)12-29-22(32)20-18(2-1-11-26-20)28(23(29)33)13-19(30)27-17-9-5-15(6-10-17)21(25)31/h1-11H,12-13H2,(H2,25,31)(H,27,30).
What are the key properties of 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide?
4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide has a molecular weight of 447.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 27555504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).