2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide

C17H16N4O2S — CID 46324868

IUPAC2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc2cccnc2n(C)c1=O
InChIInChI=1S/C17H16N4O2S/c1-11-6-3-4-7-12(11)19-14(22)10-24-16-17(23)21(2)15-13(20-16)8-5-9-18-15/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyMWYPMZYDLIFVBB-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide

2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 46324868) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID46324868
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc2cccnc2n(C)c1=O
InChIInChI=1S/C17H16N4O2S/c1-11-6-3-4-7-12(11)19-14(22)10-24-16-17(23)21(2)15-13(20-16)8-5-9-18-15/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyMWYPMZYDLIFVBB-UHFFFAOYSA-N
XLogP2.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
methyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoate
CID 3214198
N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214185
2-[2-(2-methylanilino)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid
CID 44723920
N-(2-methylphenyl)-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 38836190
N-(2,3-dimethylphenyl)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanylacetamide
CID 22332601
N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508
N-(4-acetylphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214197
N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17475609
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039525
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 994769
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4667582

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide (CID 46324868) is 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc2cccnc2n(C)c1=O.
What is the InChIKey of 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is MWYPMZYDLIFVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-6-3-4-7-12(11)19-14(22)10-24-16-17(23)21(2)15-13(20-16)8-5-9-18-15/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 46324868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).