8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C28H34N5O2S+ — CID 123858733

About 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 123858733) has the molecular formula C28H34N5O2S+ and a molecular weight of 504.68 g/mol. Its IUPAC name is 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 123858733
• Molecular Formula: C28H34N5O2S+
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.24
• IUPAC Name: 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CO[n+]1cc(CNC(=O)c2cc(N3CCC(C)(C)CC3)c3ncc(-c4ccc(C)s4)n3c2)ccc1C
• InChI: InChI=1S/C28H33N5O2S/c1-19-6-8-21(17-33(19)35-5)15-30-27(34)22-14-23(31-12-10-28(3,4)11-13-31)26-29-16-24(32(26)18-22)25-9-7-20(2)36-25/h6-9,14,16-18H,10-13,15H2,1-5H3/p+1
• InChIKey: BYLKXUAWCPPFBG-UHFFFAOYSA-O
• XLogP: 4.58
• TPSA: 62.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 123858733) is 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is CO[n+]1cc(CNC(=O)c2cc(N3CCC(C)(C)CC3)c3ncc(-c4ccc(C)s4)n3c2)ccc1C.

What is the InChIKey of 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is BYLKXUAWCPPFBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H33N5O2S/c1-19-6-8-21(17-33(19)35-5)15-30-27(34)22-14-23(31-12-10-28(3,4)11-13-31)26-29-16-24(32(26)18-22)25-9-7-20(2)36-25/h6-9,14,16-18H,10-13,15H2,1-5H3/p+1.

What are the key properties of 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 504.68 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 123858733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).