2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile

C23H26N4O — CID 126453572

About 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile

2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 126453572) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile
• PubChem CID: 126453572
• Molecular Formula: C23H26N4O
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.21
• IUPAC Name: 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile
• SMILES: CC(C)c1ccc(C#N)c(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1
• InChI: InChI=1S/C23H26N4O/c1-16(2)20-9-8-18(15-24)21(25-20)27-12-10-23(11-13-27)14-19(22(28)26-23)17-6-4-3-5-7-17/h3-9,16,19H,10-14H2,1-2H3,(H,26,28)/t19-/m0/s1
• InChIKey: VHHYXDLTKKWUQV-IBGZPJMESA-N
• XLogP: 3.72
• TPSA: 69.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile?

The IUPAC name of 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile (CID 126453572) is 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile.

What is the SMILES notation for 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile?

The canonical SMILES for 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile is CC(C)c1ccc(C#N)c(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1.

What is the InChIKey of 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile?

The InChIKey is VHHYXDLTKKWUQV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)20-9-8-18(15-24)21(25-20)27-12-10-23(11-13-27)14-19(22(28)26-23)17-6-4-3-5-7-17/h3-9,16,19H,10-14H2,1-2H3,(H,26,28)/t19-/m0/s1.

What are the key properties of 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile?

2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 374.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 126453572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).