6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one

C26H25Cl2N5O — CID 11363911

About 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one

6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one (PubChem CID 11363911) has the molecular formula C26H25Cl2N5O and a molecular weight of 494.43 g/mol. Its IUPAC name is 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
• PubChem CID: 11363911
• Molecular Formula: C26H25Cl2N5O
• Molecular Weight: 494.43 g/mol
• Exact Mass: 493.14
• IUPAC Name: 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
• SMILES: O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cccc(-c2cccc(Cl)c2)c1
• InChI: InChI=1S/C26H25Cl2N5O/c27-22-8-4-7-21(16-22)20-6-3-5-19(15-20)17-29-13-14-33-24(28)18-32-25(26(33)34)31-12-10-23-9-1-2-11-30-23/h1-9,11,15-16,18,29H,10,12-14,17H2,(H,31,32)
• InChIKey: BXILLKBSXDXKFU-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.43
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?

The IUPAC name of 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one (CID 11363911) is 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one.

What is the SMILES notation for 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?

The canonical SMILES for 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one is O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cccc(-c2cccc(Cl)c2)c1.

What is the InChIKey of 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?

The InChIKey is BXILLKBSXDXKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O/c27-22-8-4-7-21(16-22)20-6-3-5-19(15-20)17-29-13-14-33-24(28)18-32-25(26(33)34)31-12-10-23-9-1-2-11-30-23/h1-9,11,15-16,18,29H,10,12-14,17H2,(H,31,32).

What are the key properties of 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?

6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one has a molecular weight of 494.43 g/mol, XLogP of 5.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 11363911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).