2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C21H25N5OS — CID 78901581

About 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 78901581) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
• PubChem CID: 78901581
• Molecular Formula: C21H25N5OS
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.18
• IUPAC Name: 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(C)n1-c1nccs1
• InChI: InChI=1S/C21H25N5OS/c1-15-13-19(16(2)26(15)21-23-9-12-28-21)20(27)24-17-6-10-25(11-7-17)14-18-5-3-4-8-22-18/h3-5,8-9,12-13,17H,6-7,10-11,14H2,1-2H3,(H,24,27)
• InChIKey: CKAIFVRSIWDKQY-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?

The IUPAC name of 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 78901581) is 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

What is the SMILES notation for 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?

The canonical SMILES for 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(C)n1-c1nccs1.

What is the InChIKey of 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?

The InChIKey is CKAIFVRSIWDKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-15-13-19(16(2)26(15)21-23-9-12-28-21)20(27)24-17-6-10-25(11-7-17)14-18-5-3-4-8-22-18/h3-5,8-9,12-13,17H,6-7,10-11,14H2,1-2H3,(H,24,27).

What are the key properties of 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?

2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78901581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).