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

C21H30N4O — CID 55859618

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

2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide (PubChem CID 55859618) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
• PubChem CID: 55859618
• Molecular Formula: C21H30N4O
• Molecular Weight: 354.50 g/mol
• Exact Mass: 354.24
• IUPAC Name: 2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(C)n1C(C)C
• InChI: InChI=1S/C21H30N4O/c1-15(2)25-16(3)13-20(17(25)4)21(26)23-18-8-11-24(12-9-18)14-19-7-5-6-10-22-19/h5-7,10,13,15,18H,8-9,11-12,14H2,1-4H3,(H,23,26)
• InChIKey: PSWOHHBONGXNJS-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.50
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide (CID 55859618) is 2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide.

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

The canonical SMILES for 2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(C)n1C(C)C.

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

The InChIKey is PSWOHHBONGXNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15(2)25-16(3)13-20(17(25)4)21(26)23-18-8-11-24(12-9-18)14-19-7-5-6-10-22-19/h5-7,10,13,15,18H,8-9,11-12,14H2,1-4H3,(H,23,26).

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

2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 55859618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).