N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide

C24H27N5O4 — CID 60619256

About N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 60619256) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide
• PubChem CID: 60619256
• Molecular Formula: C24H27N5O4
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.21
• IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide
• SMILES: Cc1c(C#N)c(NC(=O)CCN2C(=O)NC(C3CC3)(C3CC3)C2=O)n(Cc2ccco2)c1C
• InChI: InChI=1S/C24H27N5O4/c1-14-15(2)29(13-18-4-3-11-33-18)21(19(14)12-25)26-20(30)9-10-28-22(31)24(16-5-6-16,17-7-8-17)27-23(28)32/h3-4,11,16-17H,5-10,13H2,1-2H3,(H,26,30)(H,27,32)
• InChIKey: KNPAVZPVZIIZGQ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 120.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide?

The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 60619256) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide.

What is the SMILES notation for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide?

The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide is Cc1c(C#N)c(NC(=O)CCN2C(=O)NC(C3CC3)(C3CC3)C2=O)n(Cc2ccco2)c1C.

What is the InChIKey of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide?

The InChIKey is KNPAVZPVZIIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-14-15(2)29(13-18-4-3-11-33-18)21(19(14)12-25)26-20(30)9-10-28-22(31)24(16-5-6-16,17-7-8-17)27-23(28)32/h3-4,11,16-17H,5-10,13H2,1-2H3,(H,26,30)(H,27,32).

What are the key properties of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide?

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 449.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 60619256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).