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

C22H26N6O — CID 136554741

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

2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide (PubChem CID 136554741) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
• PubChem CID: 136554741
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(C)n1-c1cnccn1
• InChI: InChI=1S/C22H26N6O/c1-16-13-20(17(2)28(16)21-14-23-9-10-25-21)22(29)26-18-6-11-27(12-7-18)15-19-5-3-4-8-24-19/h3-5,8-10,13-14,18H,6-7,11-12,15H2,1-2H3,(H,26,29)
• InChIKey: ZQTGNPHFTLBWTH-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide (CID 136554741) is 2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide.

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

The canonical SMILES for 2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(C)n1-c1cnccn1.

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

The InChIKey is ZQTGNPHFTLBWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-16-13-20(17(2)28(16)21-14-23-9-10-25-21)22(29)26-18-6-11-27(12-7-18)15-19-5-3-4-8-24-19/h3-5,8-10,13-14,18H,6-7,11-12,15H2,1-2H3,(H,26,29).

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

2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 136554741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).