3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide

C25H28N4OS — CID 86695862

About 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide

3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 86695862) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

• Compound Name: 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide
• PubChem CID: 86695862
• Molecular Formula: C25H28N4OS
• Molecular Weight: 432.59 g/mol
• Exact Mass: 432.20
• IUPAC Name: 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide
• SMILES: CSc1ncc2c(n1)CCN(c1cc(C)cc(C(=O)Nc3cccc(C(C)C)c3)c1)C2
• InChI: InChI=1S/C25H28N4OS/c1-16(2)18-6-5-7-21(12-18)27-24(30)19-10-17(3)11-22(13-19)29-9-8-23-20(15-29)14-26-25(28-23)31-4/h5-7,10-14,16H,8-9,15H2,1-4H3,(H,27,30)
• InChIKey: VTVMIBPLLKLCPR-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide?

The IUPAC name of 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide (CID 86695862) is 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide.

What is the SMILES notation for 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide?

The canonical SMILES for 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide is CSc1ncc2c(n1)CCN(c1cc(C)cc(C(=O)Nc3cccc(C(C)C)c3)c1)C2.

What is the InChIKey of 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide?

The InChIKey is VTVMIBPLLKLCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-16(2)18-6-5-7-21(12-18)27-24(30)19-10-17(3)11-22(13-19)29-9-8-23-20(15-29)14-26-25(28-23)31-4/h5-7,10-14,16H,8-9,15H2,1-4H3,(H,27,30).

What are the key properties of 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide?

3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 432.59 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 86695862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).