2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide

C20H15FN4O3S — CID 16841943

IUPAC2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1cccc(F)c1
InChIInChI=1S/C20H15FN4O3S/c21-13-4-1-5-14(10-13)23-17(26)12-24-16-7-2-8-22-18(16)19(27)25(20(24)28)11-15-6-3-9-29-15/h1-10H,11-12H2,(H,23,26)
InChIKeyUWVGRAKUICPWPP-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.45
Rot. Bonds5

About 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide

2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 16841943) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID16841943
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1cccc(F)c1
InChIInChI=1S/C20H15FN4O3S/c21-13-4-1-5-14(10-13)23-17(26)12-24-16-7-2-8-22-18(16)19(27)25(20(24)28)11-15-6-3-9-29-15/h1-10H,11-12H2,(H,23,26)
InChIKeyUWVGRAKUICPWPP-UHFFFAOYSA-N
XLogP2.45
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 16841943) is 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1cccc(F)c1.
What is the InChIKey of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is UWVGRAKUICPWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-13-4-1-5-14(10-13)23-17(26)12-24-16-7-2-8-22-18(16)19(27)25(20(24)28)11-15-6-3-9-29-15/h1-10H,11-12H2,(H,23,26).
What are the key properties of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 410.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 16841943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).