2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile

C20H28N4O2 — CID 97149850

About 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile

2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 97149850) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
• PubChem CID: 97149850
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
• SMILES: COCCN1CCC[C@]2(CCN(c3nc(C(C)C)ccc3C#N)C2)C1=O
• InChI: InChI=1S/C20H28N4O2/c1-15(2)17-6-5-16(13-21)18(22-17)24-10-8-20(14-24)7-4-9-23(19(20)25)11-12-26-3/h5-6,15H,4,7-12,14H2,1-3H3/t20-/m1/s1
• InChIKey: DGIPADRJUSCYDG-HXUWFJFHSA-N
• XLogP: 2.54
• TPSA: 69.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile?

The IUPAC name of 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile (CID 97149850) is 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile.

What is the SMILES notation for 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile?

The canonical SMILES for 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile is COCCN1CCC[C@]2(CCN(c3nc(C(C)C)ccc3C#N)C2)C1=O.

What is the InChIKey of 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile?

The InChIKey is DGIPADRJUSCYDG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)17-6-5-16(13-21)18(22-17)24-10-8-20(14-24)7-4-9-23(19(20)25)11-12-26-3/h5-6,15H,4,7-12,14H2,1-3H3/t20-/m1/s1.

What are the key properties of 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile?

2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 356.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 97149850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).