2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

C17H16N4O2S — CID 135450655

IUPAC2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3ccccc3)nc2n1
InChIInChI=1S/C17H16N4O2S/c1-10-8-11(2)18-15-14(10)16(23)21-17(20-15)24-9-13(22)19-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,22)(H,18,20,21,23)
InChIKeyUJSXWQWZZHJJCF-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.67
Rot. Bonds4

About 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 135450655) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID135450655
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3ccccc3)nc2n1
InChIInChI=1S/C17H16N4O2S/c1-10-8-11(2)18-15-14(10)16(23)21-17(20-15)24-9-13(22)19-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,22)(H,18,20,21,23)
InChIKeyUJSXWQWZZHJJCF-UHFFFAOYSA-N
XLogP2.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
2-Methylsulfanyl-3-o-tolyl-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 929434
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
CID 135412573
N-(4-acetylphenyl)-2-[(3-ethyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
CID 1996177
2-[[3-(2-methylphenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]-N-phenylacetamide
CID 1213138
2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
CID 1949422
N-Naphthalen-1-yl-2-(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide
CID 1989175
2-(4-Oxo-3-phenyl-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-N-m-tolyl-acetamide
CID 3493227

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (CID 135450655) is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is Cc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3ccccc3)nc2n1.
What is the InChIKey of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is UJSXWQWZZHJJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-8-11(2)18-15-14(10)16(23)21-17(20-15)24-9-13(22)19-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,22)(H,18,20,21,23).
What are the key properties of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 340.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 135450655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).