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

C16H13N5O3S — CID 7256653

IUPAC4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C16H13N5O3S/c17-14(23)10-4-6-11(7-5-10)18-13(22)9-25-15-19-12-3-1-2-8-21(12)16(24)20-15/h1-8H,9H2,(H2,17,23)(H,18,22)
InChIKeyHZNAHIUBAQZAEP-UHFFFAOYSA-N
MW355.38 g/mol
LogP0.92
Rot. Bonds5

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

4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 7256653) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID7256653
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC Name4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C16H13N5O3S/c17-14(23)10-4-6-11(7-5-10)18-13(22)9-25-15-19-12-3-1-2-8-21(12)16(24)20-15/h1-8H,9H2,(H2,17,23)(H,18,22)
InChIKeyHZNAHIUBAQZAEP-UHFFFAOYSA-N
XLogP0.92
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide
CID 7259345
2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7256634
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7256602
methyl 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzoate
CID 705274
N-(4-methoxyphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256725
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259225
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-[4-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2613279
2-prop-2-enylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one
CID 2767301
N-(4-acetylphenyl)-2-[[4-methyl-5-[(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 20899123

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide (CID 7256653) is 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CSc2nc(=O)n3ccccc3n2)cc1.
What is the InChIKey of 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is HZNAHIUBAQZAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c17-14(23)10-4-6-11(7-5-10)18-13(22)9-25-15-19-12-3-1-2-8-21(12)16(24)20-15/h1-8H,9H2,(H2,17,23)(H,18,22).
What are the key properties of 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide?
4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 355.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 7256653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).