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

C18H18N4O2S — CID 135422792

IUPAC2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N4O2S/c1-10-4-6-13(7-5-10)20-14(23)9-25-18-21-16-15(17(24)22-18)11(2)8-12(3)19-16/h4-8H,9H2,1-3H3,(H,20,23)(H,19,21,22,24)
InChIKeyAVFRLOCJOLGAOJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.97
Rot. Bonds4

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

2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 135422792) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID135422792
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N4O2S/c1-10-4-6-13(7-5-10)20-14(23)9-25-18-21-16-15(17(24)22-18)11(2)8-12(3)19-16/h4-8H,9H2,1-3H3,(H,20,23)(H,19,21,22,24)
InChIKeyAVFRLOCJOLGAOJ-UHFFFAOYSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.97
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
Pyridine, 2-(p-aminobenzamido)-4,6-dimethyl-
CID 215933
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

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-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide (CID 135422792) is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is AVFRLOCJOLGAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-10-4-6-13(7-5-10)20-14(23)9-25-18-21-16-15(17(24)22-18)11(2)8-12(3)19-16/h4-8H,9H2,1-3H3,(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-(4-methylphenyl)acetamide?
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 2.97, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 135422792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).