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

C20H28N4O2S — CID 51255908

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

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 51255908) 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-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
• PubChem CID: 51255908
• 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-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
• SMILES: Cc1cc(CSc2ncccc2C(=O)NCCCN2CCCCC2C)no1
• InChI: InChI=1S/C20H28N4O2S/c1-15-7-3-4-11-24(15)12-6-10-21-19(25)18-8-5-9-22-20(18)27-14-17-13-16(2)26-23-17/h5,8-9,13,15H,3-4,6-7,10-12,14H2,1-2H3,(H,21,25)
• InChIKey: XBHMEXYUBODNMU-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• 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

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide (CID 51255908) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)NCCCN2CCCCC2C)no1.

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

The InChIKey is XBHMEXYUBODNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-15-7-3-4-11-24(15)12-6-10-21-19(25)18-8-5-9-22-20(18)27-14-17-13-16(2)26-23-17/h5,8-9,13,15H,3-4,6-7,10-12,14H2,1-2H3,(H,21,25).

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

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 3.66, 8 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-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 51255908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).