2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide

C20H28N4O2S — CID 51253609

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 51253609) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
• PubChem CID: 51253609
• Molecular Formula: C20H28N4O2S
• Molecular Weight: 388.54 g/mol
• Exact Mass: 388.19
• IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
• SMILES: Cc1cc(CSc2ncccc2C(=O)NCC(C)(C)N2CCCCC2)no1
• InChI: InChI=1S/C20H28N4O2S/c1-15-12-16(23-26-15)13-27-19-17(8-7-9-21-19)18(25)22-14-20(2,3)24-10-5-4-6-11-24/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,22,25)
• InChIKey: JLMDCCLPXVEZRS-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.54
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide?

The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide (CID 51253609) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide?

The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)NCC(C)(C)N2CCCCC2)no1.

What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide?

The InChIKey is JLMDCCLPXVEZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-15-12-16(23-26-15)13-27-19-17(8-7-9-21-19)18(25)22-14-20(2,3)24-10-5-4-6-11-24/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,22,25).

What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide?

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 51253609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).