6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C22H26N6O2S — CID 133329498

About 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133329498) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133329498
• Molecular Formula: C22H26N6O2S
• Molecular Weight: 438.56 g/mol
• Exact Mass: 438.18
• IUPAC Name: 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: O=C(Nc1nncs1)c1ccc(NCC2CCN(CC(O)c3ccccc3)CC2)nc1
• InChI: InChI=1S/C22H26N6O2S/c29-19(17-4-2-1-3-5-17)14-28-10-8-16(9-11-28)12-23-20-7-6-18(13-24-20)21(30)26-22-27-25-15-31-22/h1-7,13,15-16,19,29H,8-12,14H2,(H,23,24)(H,26,27,30)
• InChIKey: OQYWYQFMIMAAJV-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 103.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.56
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133329498) is 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NCC2CCN(CC(O)c3ccccc3)CC2)nc1.

What is the InChIKey of 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is OQYWYQFMIMAAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c29-19(17-4-2-1-3-5-17)14-28-10-8-16(9-11-28)12-23-20-7-6-18(13-24-20)21(30)26-22-27-25-15-31-22/h1-7,13,15-16,19,29H,8-12,14H2,(H,23,24)(H,26,27,30).

What are the key properties of 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133329498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).