2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide

C22H26N4O3S — CID 26844305

IUPAC2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C22H26N4O3S/c1-12(2)15-10-23-20-18(21(28)26(6)22(29)25(20)5)19(15)30-11-17(27)24-16-8-7-13(3)9-14(16)4/h7-10,12H,11H2,1-6H3,(H,24,27)
InChIKeyYVPIBUQKUIOBQH-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.10
Rot. Bonds5

About 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide

2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide (PubChem CID 26844305) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
PubChem CID26844305
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1
InChIInChI=1S/C22H26N4O3S/c1-12(2)15-10-23-20-18(21(28)26(6)22(29)25(20)5)19(15)30-11-17(27)24-16-8-7-13(3)9-14(16)4/h7-10,12H,11H2,1-6H3,(H,24,27)
InChIKeyYVPIBUQKUIOBQH-UHFFFAOYSA-N
XLogP3.10
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 26844306
N-(3,4-dichlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 41085062
N-(3-chlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 26844352
methyl 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetate
CID 26844340
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 26844466
N-naphthalen-1-yl-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585279
2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1138398
2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 26844378
2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 44827593
N-(5-chloro-2-methoxyphenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585332
N-(4-fluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424287
N-(2,4-dimethylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864151

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide (CID 26844305) is 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is YVPIBUQKUIOBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-12(2)15-10-23-20-18(21(28)26(6)22(29)25(20)5)19(15)30-11-17(27)24-16-8-7-13(3)9-14(16)4/h7-10,12H,11H2,1-6H3,(H,24,27).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide?
2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 26844305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).