2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide

C20H28N4O2S — CID 55723994

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 55723994) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide
• PubChem CID: 55723994
• Molecular Formula: C20H28N4O2S
• Molecular Weight: 388.54 g/mol
• Exact Mass: 388.19
• IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide
• SMILES: Cc1noc(C)c1CSc1ncccc1C(=O)NCCN1CCCCC1C
• InChI: InChI=1S/C20H28N4O2S/c1-14-7-4-5-11-24(14)12-10-21-19(25)17-8-6-9-22-20(17)27-13-18-15(2)23-26-16(18)3/h6,8-9,14H,4-5,7,10-13H2,1-3H3,(H,21,25)
• InChIKey: OIIONNAHVSLWIU-UHFFFAOYSA-N
• XLogP: 3.58
• 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	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide (CID 55723994) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide is Cc1noc(C)c1CSc1ncccc1C(=O)NCCN1CCCCC1C.

What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide?

The InChIKey is OIIONNAHVSLWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14-7-4-5-11-24(14)12-10-21-19(25)17-8-6-9-22-20(17)27-13-18-15(2)23-26-16(18)3/h6,8-9,14H,4-5,7,10-13H2,1-3H3,(H,21,25).

What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide?

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55723994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).