N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C24H27N9OS — CID 155523014

About N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 155523014) has the molecular formula C24H27N9OS and a molecular weight of 489.61 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 155523014
• Molecular Formula: C24H27N9OS
• Molecular Weight: 489.61 g/mol
• Exact Mass: 489.21
• IUPAC Name: N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cccnc4C)CC3)s2)nc1
• InChI: InChI=1S/C24H27N9OS/c1-16-5-6-21(26-14-16)27-15-19-7-11-28-33(19)24-31-30-23(35-24)32-12-8-18(9-13-32)22(34)29-20-4-3-10-25-17(20)2/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,27)(H,29,34)
• InChIKey: DXAPNAWHLHNXPW-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.61
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 155523014) is N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4cccnc4C)CC3)s2)nc1.

What is the InChIKey of N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is DXAPNAWHLHNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9OS/c1-16-5-6-21(26-14-16)27-15-19-7-11-28-33(19)24-31-30-23(35-24)32-12-8-18(9-13-32)22(34)29-20-4-3-10-25-17(20)2/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,27)(H,29,34).

What are the key properties of N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 489.61 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-3-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 155523014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).