4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide

C17H15N5O3S — CID 7259345

IUPAC4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCc1cccn2c(=O)nc(SCC(=O)Nc3ccc(C(N)=O)cc3)nc12
InChIInChI=1S/C17H15N5O3S/c1-10-3-2-8-22-15(10)20-16(21-17(22)25)26-9-13(23)19-12-6-4-11(5-7-12)14(18)24/h2-8H,9H2,1H3,(H2,18,24)(H,19,23)
InChIKeyGVPRXNWDUIYIER-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.23
Rot. Bonds5

About 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide

4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 7259345) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID7259345
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCc1cccn2c(=O)nc(SCC(=O)Nc3ccc(C(N)=O)cc3)nc12
InChIInChI=1S/C17H15N5O3S/c1-10-3-2-8-22-15(10)20-16(21-17(22)25)26-9-13(23)19-12-6-4-11(5-7-12)14(18)24/h2-8H,9H2,1H3,(H2,18,24)(H,19,23)
InChIKeyGVPRXNWDUIYIER-UHFFFAOYSA-N
XLogP1.23
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide with MolForge

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Related Compounds

N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259317
N-(3-fluorophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259291
4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
CID 7256653
N-(2-ethoxyphenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259298
2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7259332
N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256626
N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256643
4-[[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 7815706
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
methyl 4-[[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 6404280
4-[[2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzamide
CID 18585301
N-(4-methoxyphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256725

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide (CID 7259345) is 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide is Cc1cccn2c(=O)nc(SCC(=O)Nc3ccc(C(N)=O)cc3)nc12.
What is the InChIKey of 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is GVPRXNWDUIYIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-10-3-2-8-22-15(10)20-16(21-17(22)25)26-9-13(23)19-12-6-4-11(5-7-12)14(18)24/h2-8H,9H2,1H3,(H2,18,24)(H,19,23).
What are the key properties of 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide?
4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 369.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 7259345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).