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

C17H15IN4O2S — CID 135858470

IUPAC2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3cccc(I)c3)nc2n1
InChIInChI=1S/C17H15IN4O2S/c1-9-6-10(2)19-15-14(9)16(24)22-17(21-15)25-8-13(23)20-12-5-3-4-11(18)7-12/h3-7H,8H2,1-2H3,(H,20,23)(H,19,21,22,24)
InChIKeyGBYRUUFLUSGVID-UHFFFAOYSA-N
MW466.30 g/mol
LogP3.27
Rot. Bonds4

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

2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide (PubChem CID 135858470) has the molecular formula C17H15IN4O2S and a molecular weight of 466.30 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide
PubChem CID135858470
Molecular FormulaC17H15IN4O2S
Molecular Weight466.30 g/mol
Exact Mass466.00
IUPAC Name2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3cccc(I)c3)nc2n1
InChIInChI=1S/C17H15IN4O2S/c1-9-6-10(2)19-15-14(9)16(24)22-17(21-15)25-8-13(23)20-12-5-3-4-11(18)7-12/h3-7H,8H2,1-2H3,(H,20,23)(H,19,21,22,24)
InChIKeyGBYRUUFLUSGVID-UHFFFAOYSA-N
XLogP3.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-iodophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 137144407
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 135671583
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 135671579
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-propylacetamide
CID 135671586
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(3-iodophenyl)acetamide
CID 41432808
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 135671587
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135488914
2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135441412
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 135461607
N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2952564
2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135447407
N-(2,6-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464045

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-(3-iodophenyl)acetamide?
The IUPAC name of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide (CID 135858470) is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide is Cc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3cccc(I)c3)nc2n1.
What is the InChIKey of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide?
The InChIKey is GBYRUUFLUSGVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN4O2S/c1-9-6-10(2)19-15-14(9)16(24)22-17(21-15)25-8-13(23)20-12-5-3-4-11(18)7-12/h3-7H,8H2,1-2H3,(H,20,23)(H,19,21,22,24).
What are the key properties of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide?
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide has a molecular weight of 466.30 g/mol, XLogP of 3.27, 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-(3-iodophenyl)acetamide is sourced from PubChem (CID 135858470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).