9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione

C25H24ClN5O5 — CID 66794226

About 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione

9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione (PubChem CID 66794226) has the molecular formula C25H24ClN5O5 and a molecular weight of 509.95 g/mol. Its IUPAC name is 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione.

Molecular Properties

• Compound Name: 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione
• PubChem CID: 66794226
• Molecular Formula: C25H24ClN5O5
• Molecular Weight: 509.95 g/mol
• Exact Mass: 509.15
• IUPAC Name: 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione
• SMILES: O=C1CC2(CCN(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)c(=O)[nH]3)CC2)CC(=O)N1
• InChI: InChI=1S/C25H24ClN5O5/c26-16-1-2-17(27-14-16)15-36-18-5-8-31(23(34)11-18)19-3-4-20(28-24(19)35)30-9-6-25(7-10-30)12-21(32)29-22(33)13-25/h1-5,8,11,14H,6-7,9-10,12-13,15H2,(H,28,35)(H,29,32,33)
• InChIKey: LHYCTOPNGMOLCR-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 126.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.95
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione?

The IUPAC name of 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione (CID 66794226) is 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione.

What is the SMILES notation for 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione?

The canonical SMILES for 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCN(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)c(=O)[nH]3)CC2)CC(=O)N1.

What is the InChIKey of 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione?

The InChIKey is LHYCTOPNGMOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O5/c26-16-1-2-17(27-14-16)15-36-18-5-8-31(23(34)11-18)19-3-4-20(28-24(19)35)30-9-6-25(7-10-30)12-21(32)29-22(33)13-25/h1-5,8,11,14H,6-7,9-10,12-13,15H2,(H,28,35)(H,29,32,33).

What are the key properties of 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione?

9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione has a molecular weight of 509.95 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 66794226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).