2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide

C23H28N4O3 — CID 55678327

About 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide

2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 55678327) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide
• PubChem CID: 55678327
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)c2cc(C)n(-c3cccnc3)c2C)N2CCOCC2)o1
• InChI: InChI=1S/C23H28N4O3/c1-16-13-20(18(3)27(16)19-5-4-8-24-14-19)23(28)25-15-21(22-7-6-17(2)30-22)26-9-11-29-12-10-26/h4-8,13-14,21H,9-12,15H2,1-3H3,(H,25,28)
• InChIKey: LTXKMGDLGVCPLQ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 72.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide?

The IUPAC name of 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide (CID 55678327) is 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide.

What is the SMILES notation for 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide?

The canonical SMILES for 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1ccc(C(CNC(=O)c2cc(C)n(-c3cccnc3)c2C)N2CCOCC2)o1.

What is the InChIKey of 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide?

The InChIKey is LTXKMGDLGVCPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16-13-20(18(3)27(16)19-5-4-8-24-14-19)23(28)25-15-21(22-7-6-17(2)30-22)26-9-11-29-12-10-26/h4-8,13-14,21H,9-12,15H2,1-3H3,(H,25,28).

What are the key properties of 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide?

2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55678327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).