6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile

C24H26N4O — CID 97456290

About 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile

6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile (PubChem CID 97456290) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
• PubChem CID: 97456290
• Molecular Formula: C24H26N4O
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.21
• IUPAC Name: 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
• SMILES: N#Cc1ccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)nc1
• InChI: InChI=1S/C24H26N4O/c25-15-18-6-9-22(26-16-18)27-12-10-24(11-13-27)14-21(19-4-2-1-3-5-19)23(29)28(17-24)20-7-8-20/h1-6,9,16,20-21H,7-8,10-14,17H2/t21-/m1/s1
• InChIKey: SKEZIESZUCYYHK-OAQYLSRUSA-N
• XLogP: 3.72
• TPSA: 60.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?

The IUPAC name of 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile (CID 97456290) is 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)nc1.

What is the InChIKey of 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?

The InChIKey is SKEZIESZUCYYHK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O/c25-15-18-6-9-22(26-16-18)27-12-10-24(11-13-27)14-21(19-4-2-1-3-5-19)23(29)28(17-24)20-7-8-20/h1-6,9,16,20-21H,7-8,10-14,17H2/t21-/m1/s1.

What are the key properties of 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?

6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile has a molecular weight of 386.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97456290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).