N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide

C26H30N4OS — CID 170294260

About N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide

N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 170294260) has the molecular formula C26H30N4OS and a molecular weight of 446.62 g/mol. Its IUPAC name is N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide
• PubChem CID: 170294260
• Molecular Formula: C26H30N4OS
• Molecular Weight: 446.62 g/mol
• Exact Mass: 446.21
• IUPAC Name: N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide
• SMILES: Cc1ccc2sc(C3CC4(CC(NC(=O)c5ccnc(N6CCCCC6)c5)C4)C3)nc2c1
• InChI: InChI=1S/C26H30N4OS/c1-17-5-6-22-21(11-17)29-25(32-22)19-13-26(14-19)15-20(16-26)28-24(31)18-7-8-27-23(12-18)30-9-3-2-4-10-30/h5-8,11-12,19-20H,2-4,9-10,13-16H2,1H3,(H,28,31)
• InChIKey: NSVYGLIJUFAFSO-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.62
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide?

The IUPAC name of N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide (CID 170294260) is N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide.

What is the SMILES notation for N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide?

The canonical SMILES for N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide is Cc1ccc2sc(C3CC4(CC(NC(=O)c5ccnc(N6CCCCC6)c5)C4)C3)nc2c1.

What is the InChIKey of N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide?

The InChIKey is NSVYGLIJUFAFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4OS/c1-17-5-6-22-21(11-17)29-25(32-22)19-13-26(14-19)15-20(16-26)28-24(31)18-7-8-27-23(12-18)30-9-3-2-4-10-30/h5-8,11-12,19-20H,2-4,9-10,13-16H2,1H3,(H,28,31).

What are the key properties of N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide?

N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 446.62 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(5-methyl-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 170294260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).