4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide

C22H26N6O4 — CID 78524153

About 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide

4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 78524153) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
• PubChem CID: 78524153
• Molecular Formula: C22H26N6O4
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.20
• IUPAC Name: 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
• SMILES: Cn1cccc1C(=O)N1CCN(C(=O)c2cccnc2)C(C(=O)NC2CCCNC2=O)C1
• InChI: InChI=1S/C22H26N6O4/c1-26-10-4-7-17(26)22(32)27-11-12-28(21(31)15-5-2-8-23-13-15)18(14-27)20(30)25-16-6-3-9-24-19(16)29/h2,4-5,7-8,10,13,16,18H,3,6,9,11-12,14H2,1H3,(H,24,29)(H,25,30)
• InChIKey: RZWUHPSFKMTLKE-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 116.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide?

The IUPAC name of 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide (CID 78524153) is 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide.

What is the SMILES notation for 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide?

The canonical SMILES for 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide is Cn1cccc1C(=O)N1CCN(C(=O)c2cccnc2)C(C(=O)NC2CCCNC2=O)C1.

What is the InChIKey of 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide?

The InChIKey is RZWUHPSFKMTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-26-10-4-7-17(26)22(32)27-11-12-28(21(31)15-5-2-8-23-13-15)18(14-27)20(30)25-16-6-3-9-24-19(16)29/h2,4-5,7-8,10,13,16,18H,3,6,9,11-12,14H2,1H3,(H,24,29)(H,25,30).

What are the key properties of 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide?

4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 438.49 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-methylpyrrole-2-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 78524153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).