5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C19H25N3O3 — CID 131920266

About 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 131920266) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 131920266
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: CC(=O)c1[nH]c(C)c(C(=O)NCC(c2ccco2)N2CCCC2)c1C
• InChI: InChI=1S/C19H25N3O3/c1-12-17(13(2)21-18(12)14(3)23)19(24)20-11-15(16-7-6-10-25-16)22-8-4-5-9-22/h6-7,10,15,21H,4-5,8-9,11H2,1-3H3,(H,20,24)
• InChIKey: NZQLQGDSCCFVNE-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 78.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 131920266) is 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)NCC(c2ccco2)N2CCCC2)c1C.

What is the InChIKey of 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is NZQLQGDSCCFVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-17(13(2)21-18(12)14(3)23)19(24)20-11-15(16-7-6-10-25-16)22-8-4-5-9-22/h6-7,10,15,21H,4-5,8-9,11H2,1-3H3,(H,20,24).

What are the key properties of 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131920266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).