2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide

C19H19N3O2S — CID 46332047

IUPAC2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccn2c(=O)cc(CSCC(=O)Nc3ccccc3C)nc2c1
InChIInChI=1S/C19H19N3O2S/c1-13-7-8-22-17(9-13)20-15(10-19(22)24)11-25-12-18(23)21-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyKZUAJFBGXIVTTD-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.18
Rot. Bonds5

About 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide

2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 46332047) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID46332047
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccn2c(=O)cc(CSCC(=O)Nc3ccccc3C)nc2c1
InChIInChI=1S/C19H19N3O2S/c1-13-7-8-22-17(9-13)20-15(10-19(22)24)11-25-12-18(23)21-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyKZUAJFBGXIVTTD-UHFFFAOYSA-N
XLogP3.18
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide (CID 46332047) is 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccn2c(=O)cc(CSCC(=O)Nc3ccccc3C)nc2c1.
What is the InChIKey of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is KZUAJFBGXIVTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-7-8-22-17(9-13)20-15(10-19(22)24)11-25-12-18(23)21-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide?
2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 46332047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).