N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide

C21H28N8O3 — CID 69464932

About N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide

N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide (PubChem CID 69464932) has the molecular formula C21H28N8O3 and a molecular weight of 440.51 g/mol. Its IUPAC name is N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide.

Molecular Properties

• Compound Name: N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide
• PubChem CID: 69464932
• Molecular Formula: C21H28N8O3
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.23
• IUPAC Name: N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide
• SMILES: CC(C)(C)CN(NC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1nc(C#N)nc2c1CCC2
• InChI: InChI=1S/C21H28N8O3/c1-20(2,3)12-29(16-13-5-4-6-14(13)23-15(11-22)24-16)27-19(32)28-9-7-21(8-10-28)17(30)25-18(31)26-21/h4-10,12H2,1-3H3,(H,27,32)(H2,25,26,30,31)
• InChIKey: RFMMYGWIPXNIKW-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 143.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide?

The IUPAC name of N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide (CID 69464932) is N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide.

What is the SMILES notation for N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide?

The canonical SMILES for N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide is CC(C)(C)CN(NC(=O)N1CCC2(CC1)NC(=O)NC2=O)c1nc(C#N)nc2c1CCC2.

What is the InChIKey of N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide?

The InChIKey is RFMMYGWIPXNIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O3/c1-20(2,3)12-29(16-13-5-4-6-14(13)23-15(11-22)24-16)27-19(32)28-9-7-21(8-10-28)17(30)25-18(31)26-21/h4-10,12H2,1-3H3,(H,27,32)(H2,25,26,30,31).

What are the key properties of N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide?

N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide has a molecular weight of 440.51 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-cyano-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbohydrazide is sourced from PubChem (CID 69464932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).