1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide

C24H25N7O2 — CID 91950744

About 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide

1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide (PubChem CID 91950744) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide
• PubChem CID: 91950744
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• IUPAC Name: 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide
• SMILES: CCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)Nc3cccc4ncccc34)C2)n1
• InChI: InChI=1S/C24H25N7O2/c1-3-21-29-24(33-30-21)18-13-26-15(2)27-22(18)31-12-6-7-16(14-31)23(32)28-20-10-4-9-19-17(20)8-5-11-25-19/h4-5,8-11,13,16H,3,6-7,12,14H2,1-2H3,(H,28,32)
• InChIKey: WTXIIQBKRQMLGZ-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 109.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide?

The IUPAC name of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide (CID 91950744) is 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide.

What is the SMILES notation for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide?

The canonical SMILES for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide is CCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)Nc3cccc4ncccc34)C2)n1.

What is the InChIKey of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide?

The InChIKey is WTXIIQBKRQMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-3-21-29-24(33-30-21)18-13-26-15(2)27-22(18)31-12-6-7-16(14-31)23(32)28-20-10-4-9-19-17(20)8-5-11-25-19/h4-5,8-11,13,16H,3,6-7,12,14H2,1-2H3,(H,28,32).

What are the key properties of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide?

1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-quinolin-5-ylpiperidine-3-carboxamide is sourced from PubChem (CID 91950744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).