2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C21H24N6OS — CID 95835904

About 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95835904) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 95835904
• Molecular Formula: C21H24N6OS
• Molecular Weight: 408.53 g/mol
• Exact Mass: 408.17
• IUPAC Name: 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: Cc1cccnc1Nc1cccc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n1
• InChI: InChI=1S/C21H24N6OS/c1-15-5-3-9-22-20(15)25-18-8-2-7-17(24-18)16-6-4-11-27(13-16)14-19(28)26-21-23-10-12-29-21/h2-3,5,7-10,12,16H,4,6,11,13-14H2,1H3,(H,22,24,25)(H,23,26,28)/t16-/m1/s1
• InChIKey: MSJREZATNLTQLP-MRXNPFEDSA-N
• XLogP: 3.80
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 95835904) is 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cccnc1Nc1cccc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n1.

What is the InChIKey of 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is MSJREZATNLTQLP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-15-5-3-9-22-20(15)25-18-8-2-7-17(24-18)16-6-4-11-27(13-16)14-19(28)26-21-23-10-12-29-21/h2-3,5,7-10,12,16H,4,6,11,13-14H2,1H3,(H,22,24,25)(H,23,26,28)/t16-/m1/s1.

What are the key properties of 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 408.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95835904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).