2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

C23H24N4O5 — CID 36992531

About 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide (PubChem CID 36992531) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
• PubChem CID: 36992531
• Molecular Formula: C23H24N4O5
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.17
• IUPAC Name: 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
• SMILES: N#Cc1cn(C2CC2)c(=O)n(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1=O
• InChI: InChI=1S/C23H24N4O5/c24-12-15-13-26(17-4-5-17)22(30)27(21(15)29)14-20(28)25-23(7-1-2-8-23)16-3-6-18-19(11-16)32-10-9-31-18/h3,6,11,13,17H,1-2,4-5,7-10,14H2,(H,25,28)
• InChIKey: LCGABUOTHGWXPL-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 115.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide?

The IUPAC name of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide (CID 36992531) is 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide.

What is the SMILES notation for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide?

The canonical SMILES for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide is N#Cc1cn(C2CC2)c(=O)n(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1=O.

What is the InChIKey of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide?

The InChIKey is LCGABUOTHGWXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c24-12-15-13-26(17-4-5-17)22(30)27(21(15)29)14-20(28)25-23(7-1-2-8-23)16-3-6-18-19(11-16)32-10-9-31-18/h3,6,11,13,17H,1-2,4-5,7-10,14H2,(H,25,28).

What are the key properties of 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide?

2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide has a molecular weight of 436.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide is sourced from PubChem (CID 36992531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).