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

C21H18N4O4S — CID 16841946

IUPAC2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21
InChIInChI=1S/C21H18N4O4S/c1-29-17-9-3-2-7-15(17)23-18(26)13-24-16-8-4-10-22-19(16)20(27)25(21(24)28)12-14-6-5-11-30-14/h2-11H,12-13H2,1H3,(H,23,26)
InChIKeyFTGWPSVNEIPYGE-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.32
Rot. Bonds6

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

2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 16841946) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID16841946
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21
InChIInChI=1S/C21H18N4O4S/c1-29-17-9-3-2-7-15(17)23-18(26)13-24-16-8-4-10-22-19(16)20(27)25(21(24)28)12-14-6-5-11-30-14/h2-11H,12-13H2,1H3,(H,23,26)
InChIKeyFTGWPSVNEIPYGE-UHFFFAOYSA-N
XLogP2.32
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 16841946) is 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21.
What is the InChIKey of 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FTGWPSVNEIPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-29-17-9-3-2-7-15(17)23-18(26)13-24-16-8-4-10-22-19(16)20(27)25(21(24)28)12-14-6-5-11-30-14/h2-11H,12-13H2,1H3,(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-(2-methoxyphenyl)acetamide?
2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 422.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 16841946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).