6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119462057

About 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 119462057) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
• PubChem CID: 119462057
• Molecular Formula: C17H25ClN4O2
• Molecular Weight: 352.87 g/mol
• Exact Mass: 352.17
• IUPAC Name: 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
• SMILES: Cc1cc(C(=O)NCC2CCCNC2)c2c(C(C)C)noc2n1.Cl
• InChI: InChI=1S/C17H24N4O2.ClH/c1-10(2)15-14-13(7-11(3)20-17(14)23-21-15)16(22)19-9-12-5-4-6-18-8-12;/h7,10,12,18H,4-6,8-9H2,1-3H3,(H,19,22);1H
• InChIKey: LVNHGFBQBNIHOZ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.87
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?

The IUPAC name of 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 119462057) is 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

What is the SMILES notation for 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?

The canonical SMILES for 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is Cc1cc(C(=O)NCC2CCCNC2)c2c(C(C)C)noc2n1.Cl.

What is the InChIKey of 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?

The InChIKey is LVNHGFBQBNIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-10(2)15-14-13(7-11(3)20-17(14)23-21-15)16(22)19-9-12-5-4-6-18-8-12;/h7,10,12,18H,4-6,8-9H2,1-3H3,(H,19,22);1H.

What are the key properties of 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?

6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119462057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).