(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H25N3O — CID 97385757

About (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one

(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97385757) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97385757
• Molecular Formula: C21H25N3O
• Molecular Weight: 335.45 g/mol
• Exact Mass: 335.20
• IUPAC Name: (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: Cc1cccc(CN2CC[C@@]3(CCN(c4cccc(C)n4)C3)C2=O)c1
• InChI: InChI=1S/C21H25N3O/c1-16-5-3-7-18(13-16)14-23-11-9-21(20(23)25)10-12-24(15-21)19-8-4-6-17(2)22-19/h3-8,13H,9-12,14-15H2,1-2H3/t21-/m0/s1
• InChIKey: LYQFFMZKGXQBEO-NRFANRHFSA-N
• XLogP: 3.33
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.45
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97385757) is (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1cccc(CN2CC[C@@]3(CCN(c4cccc(C)n4)C3)C2=O)c1.

What is the InChIKey of (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is LYQFFMZKGXQBEO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-5-3-7-18(13-16)14-23-11-9-21(20(23)25)10-12-24(15-21)19-8-4-6-17(2)22-19/h3-8,13H,9-12,14-15H2,1-2H3/t21-/m0/s1.

What are the key properties of (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?

(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97385757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).