2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

C21H24N4O2S — CID 135671587

About 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 135671587) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
• PubChem CID: 135671587
• Molecular Formula: C21H24N4O2S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.16
• IUPAC Name: 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
• SMILES: CCc1ccc([C@@H](C)NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1
• InChI: InChI=1S/C21H24N4O2S/c1-5-15-6-8-16(9-7-15)14(4)23-17(26)11-28-21-24-19-18(20(27)25-21)12(2)10-13(3)22-19/h6-10,14H,5,11H2,1-4H3,(H,23,26)(H,22,24,25,27)/t14-/m1/s1
• InChIKey: KBXWVNQFNALKPM-CQSZACIVSA-N
• XLogP: 3.47
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?

The IUPAC name of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (CID 135671587) is 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@@H](C)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-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?

The InChIKey is KBXWVNQFNALKPM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-5-15-6-8-16(9-7-15)14(4)23-17(26)11-28-21-24-19-18(20(27)25-21)12(2)10-13(3)22-19/h6-10,14H,5,11H2,1-4H3,(H,23,26)(H,22,24,25,27)/t14-/m1/s1.

What are the key properties of 2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?

2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.47, 6 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-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 135671587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).