2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C25H26BrN3O2S — CID 42868055

About 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 42868055) has the molecular formula C25H26BrN3O2S and a molecular weight of 512.47 g/mol. Its IUPAC name is 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
• PubChem CID: 42868055
• Molecular Formula: C25H26BrN3O2S
• Molecular Weight: 512.47 g/mol
• Exact Mass: 511.09
• IUPAC Name: 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)c3cccc(Br)c3)CC2)n1
• InChI: InChI=1S/C25H26BrN3O2S/c1-17-7-8-22(24(30)27-12-9-21-6-3-15-32-21)23(28-17)18-10-13-29(14-11-18)25(31)19-4-2-5-20(26)16-19/h2-8,15-16,18H,9-14H2,1H3,(H,27,30)
• InChIKey: KEHXTDRTQMTWOB-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.47
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?

The IUPAC name of 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 42868055) is 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?

The canonical SMILES for 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)c3cccc(Br)c3)CC2)n1.

What is the InChIKey of 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?

The InChIKey is KEHXTDRTQMTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O2S/c1-17-7-8-22(24(30)27-12-9-21-6-3-15-32-21)23(28-17)18-10-13-29(14-11-18)25(31)19-4-2-5-20(26)16-19/h2-8,15-16,18H,9-14H2,1H3,(H,27,30).

What are the key properties of 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?

2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 512.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42868055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).