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

C21H23N3O2 — CID 97373855

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

(5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97373855) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97373855
• Molecular Formula: C21H23N3O2
• Molecular Weight: 349.43 g/mol
• Exact Mass: 349.18
• IUPAC Name: (5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: Cc1cccc(CN2CC[C@]3(CCN(C(=O)c4cccnc4)C3)C2=O)c1
• InChI: InChI=1S/C21H23N3O2/c1-16-4-2-5-17(12-16)14-23-10-7-21(20(23)26)8-11-24(15-21)19(25)18-6-3-9-22-13-18/h2-6,9,12-13H,7-8,10-11,14-15H2,1H3/t21-/m1/s1
• InChIKey: KVIWPHQBAYADAL-OAQYLSRUSA-N
• XLogP: 2.65
• TPSA: 53.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.43
LogP ≤ 5	2.65
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-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97373855) is (5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

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

The canonical SMILES for (5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1cccc(CN2CC[C@]3(CCN(C(=O)c4cccnc4)C3)C2=O)c1.

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

The InChIKey is KVIWPHQBAYADAL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-4-2-5-17(12-16)14-23-10-7-21(20(23)26)8-11-24(15-21)19(25)18-6-3-9-22-13-18/h2-6,9,12-13H,7-8,10-11,14-15H2,1H3/t21-/m1/s1.

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

(5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 349.43 g/mol, XLogP of 2.65, 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-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97373855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).