N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

C28H33N5OS — CID 46948410

About N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948410) has the molecular formula C28H33N5OS and a molecular weight of 487.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 46948410
• Molecular Formula: C28H33N5OS
• Molecular Weight: 487.67 g/mol
• Exact Mass: 487.24
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CCc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2c1N(C)Cc1cccs1
• InChI: InChI=1S/C28H33N5OS/c1-3-25-28(31(2)20-24-10-7-17-35-24)33-19-22(11-12-26(33)30-25)27(34)29-23-13-15-32(16-14-23)18-21-8-5-4-6-9-21/h4-12,17,19,23H,3,13-16,18,20H2,1-2H3,(H,29,34)
• InChIKey: JQZPHSRSJJRCLU-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 52.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.67
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46948410) is N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2c1N(C)Cc1cccs1.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is JQZPHSRSJJRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5OS/c1-3-25-28(31(2)20-24-10-7-17-35-24)33-19-22(11-12-26(33)30-25)27(34)29-23-13-15-32(16-14-23)18-21-8-5-4-6-9-21/h4-12,17,19,23H,3,13-16,18,20H2,1-2H3,(H,29,34).

What are the key properties of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?

N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).