2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

C19H13ClN4O2S — CID 7259418

IUPAC2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1cccc2ccccc12
InChIInChI=1S/C19H13ClN4O2S/c20-13-8-9-16-22-18(23-19(26)24(16)10-13)27-11-17(25)21-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,21,25)
InChIKeyNDAJICWUTBENEJ-UHFFFAOYSA-N
MW396.86 g/mol
LogP3.63
Rot. Bonds4

About 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 7259418) has the molecular formula C19H13ClN4O2S and a molecular weight of 396.86 g/mol. Its IUPAC name is 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID7259418
Molecular FormulaC19H13ClN4O2S
Molecular Weight396.86 g/mol
Exact Mass396.04
IUPAC Name2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1cccc2ccccc12
InChIInChI=1S/C19H13ClN4O2S/c20-13-8-9-16-22-18(23-19(26)24(16)10-13)27-11-17(25)21-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,21,25)
InChIKeyNDAJICWUTBENEJ-UHFFFAOYSA-N
XLogP3.63
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide 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

2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 860083
N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 135543861
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1307031
N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256609
N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256714
N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256715
N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256717
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7259110
2-((1-(2-(diethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide
CID 18578596
2-((1-(2-(dimethylamino)ethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)-N-(naphthalen-1-yl)acetamide
CID 18578773
N-naphthalen-2-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2358068
N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 4193238

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 7259418) is 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is O=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1cccc2ccccc12.
What is the InChIKey of 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is NDAJICWUTBENEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2S/c20-13-8-9-16-22-18(23-19(26)24(16)10-13)27-11-17(25)21-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,21,25).
What are the key properties of 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 396.86 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 7259418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).