N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

C18H17N5O3S — CID 7259317

IUPACN-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)c1
InChIInChI=1S/C18H17N5O3S/c1-11-5-4-8-23-16(11)21-17(22-18(23)26)27-10-15(25)20-14-7-3-6-13(9-14)19-12(2)24/h3-9H,10H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyUPHOZUWHAYTWRZ-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.09
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (PubChem CID 7259317) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
PubChem CID7259317
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)c1
InChIInChI=1S/C18H17N5O3S/c1-11-5-4-8-23-16(11)21-17(22-18(23)26)27-10-15(25)20-14-7-3-6-13(9-14)19-12(2)24/h3-9H,10H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyUPHOZUWHAYTWRZ-UHFFFAOYSA-N
XLogP2.09
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259291
4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
CID 7259345
N-(3-acetamidophenyl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256643
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
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259225
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259274
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149
N-(3-acetamidophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135490028
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

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CID 7259317) is N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The InChIKey is UPHOZUWHAYTWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-11-5-4-8-23-16(11)21-17(22-18(23)26)27-10-15(25)20-14-7-3-6-13(9-14)19-12(2)24/h3-9H,10H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide has a molecular weight of 383.43 g/mol, XLogP of 2.09, 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-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7259317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).