N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C17H15N5O3S — CID 7256643

IUPACN-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n3ccccc3n2)c1
InChIInChI=1S/C17H15N5O3S/c1-11(23)18-12-5-4-6-13(9-12)19-15(24)10-26-16-20-14-7-2-3-8-22(14)17(25)21-16/h2-9H,10H2,1H3,(H,18,23)(H,19,24)
InChIKeyIXIGKPZIYJPOPI-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.78
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7256643) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7256643
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n3ccccc3n2)c1
InChIInChI=1S/C17H15N5O3S/c1-11(23)18-12-5-4-6-13(9-12)19-15(24)10-26-16-20-14-7-2-3-8-22(14)17(25)21-16/h2-9H,10H2,1H3,(H,18,23)(H,19,24)
InChIKeyIXIGKPZIYJPOPI-UHFFFAOYSA-N
XLogP1.78
TPSA105.46 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259317
N-(4-methoxyphenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256626
4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
CID 7256653
2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7256634
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259225
N-(3-fluorophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259291
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7256602
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
N-(3-acetamidophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41219765
4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
CID 7259345

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7256643) is N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n3ccccc3n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is IXIGKPZIYJPOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-11(23)18-12-5-4-6-13(9-12)19-15(24)10-26-16-20-14-7-2-3-8-22(14)17(25)21-16/h2-9H,10H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 369.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7256643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).