2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

C20H16N4O2S — CID 7259110

IUPAC2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1ccn2c(=O)nc(SCC(=O)Nc3cccc4ccccc34)nc2c1
InChIInChI=1S/C20H16N4O2S/c1-13-9-10-24-17(11-13)22-19(23-20(24)26)27-12-18(25)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-11H,12H2,1H3,(H,21,25)
InChIKeyUGCHTGPPBCGCKH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.28
Rot. Bonds4

About 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 7259110) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID7259110
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1ccn2c(=O)nc(SCC(=O)Nc3cccc4ccccc34)nc2c1
InChIInChI=1S/C20H16N4O2S/c1-13-9-10-24-17(11-13)22-19(23-20(24)26)27-12-18(25)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-11H,12H2,1H3,(H,21,25)
InChIKeyUGCHTGPPBCGCKH-UHFFFAOYSA-N
XLogP3.28
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 7259110) is 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is Cc1ccn2c(=O)nc(SCC(=O)Nc3cccc4ccccc34)nc2c1.
What is the InChIKey of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is UGCHTGPPBCGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-13-9-10-24-17(11-13)22-19(23-20(24)26)27-12-18(25)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-11H,12H2,1H3,(H,21,25).
What are the key properties of 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 376.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 7259110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).