(5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one

C19H19ClN4O2 — CID 131689971

About (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131689971) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131689971
• Molecular Formula: C19H19ClN4O2
• Molecular Weight: 370.84 g/mol
• Exact Mass: 370.12
• IUPAC Name: (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: C[C@@H]1CN(C(=O)c2cccc(Cl)n2)C[C@]12CCN(c1cccnc1)C2=O
• InChI: InChI=1S/C19H19ClN4O2/c1-13-11-23(17(25)15-5-2-6-16(20)22-15)12-19(13)7-9-24(18(19)26)14-4-3-8-21-10-14/h2-6,8,10,13H,7,9,11-12H2,1H3/t13-,19-/m1/s1
• InChIKey: FDZROJYKTKXMMA-BFUOFWGJSA-N
• XLogP: 2.65
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.84
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 131689971) is (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one is C[C@@H]1CN(C(=O)c2cccc(Cl)n2)C[C@]12CCN(c1cccnc1)C2=O.

What is the InChIKey of (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is FDZROJYKTKXMMA-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-13-11-23(17(25)15-5-2-6-16(20)22-15)12-19(13)7-9-24(18(19)26)14-4-3-8-21-10-14/h2-6,8,10,13H,7,9,11-12H2,1H3/t13-,19-/m1/s1.

What are the key properties of (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?

(5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 370.84 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131689971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).