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

C19H20N4O2S — CID 135671579

IUPAC2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C19H20N4O2S/c1-10-5-6-11(2)14(7-10)21-15(24)9-26-19-22-17-16(18(25)23-19)12(3)8-13(4)20-17/h5-8H,9H2,1-4H3,(H,21,24)(H,20,22,23,25)
InChIKeyUGPWDQCSBFDTPK-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.28
Rot. Bonds4

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

2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 135671579) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID135671579
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C19H20N4O2S/c1-10-5-6-11(2)14(7-10)21-15(24)9-26-19-22-17-16(18(25)23-19)12(3)8-13(4)20-17/h5-8H,9H2,1-4H3,(H,21,24)(H,20,22,23,25)
InChIKeyUGPWDQCSBFDTPK-UHFFFAOYSA-N
XLogP3.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-propylacetamide
CID 135671586
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-iodophenyl)acetamide
CID 135858470
N-[4-amino-2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide
CID 135705810
N-(2,5-dimethylphenyl)-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135877276
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 25406762
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135399216
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 135671587
N-(2,5-dimethylphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686259
N-[4-amino-2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide
CID 136507520
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

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-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide (CID 135671579) is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c1.
What is the InChIKey of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is UGPWDQCSBFDTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-10-5-6-11(2)14(7-10)21-15(24)9-26-19-22-17-16(18(25)23-19)12(3)8-13(4)20-17/h5-8H,9H2,1-4H3,(H,21,24)(H,20,22,23,25).
What are the key properties of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide?
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.28, 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 135671579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).