4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide

C25H25ClN4O3 — CID 66885355

About 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide

4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide (PubChem CID 66885355) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
• PubChem CID: 66885355
• Molecular Formula: C25H25ClN4O3
• Molecular Weight: 464.95 g/mol
• Exact Mass: 464.16
• IUPAC Name: 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(Cl)cn4)c3)C(C)C2)cn1
• InChI: InChI=1S/C25H25ClN4O3/c1-17-16-30(25(31)29-21-7-9-23(32-2)28-15-21)11-10-19(17)12-18-4-3-5-22(13-18)33-24-8-6-20(26)14-27-24/h3-9,12-15,17H,10-11,16H2,1-2H3,(H,29,31)
• InChIKey: UTLNZGZYJSXBPL-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.95
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?

The IUPAC name of 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide (CID 66885355) is 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?

The canonical SMILES for 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(Cl)cn4)c3)C(C)C2)cn1.

What is the InChIKey of 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?

The InChIKey is UTLNZGZYJSXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-17-16-30(25(31)29-21-7-9-23(32-2)28-15-21)11-10-19(17)12-18-4-3-5-22(13-18)33-24-8-6-20(26)14-27-24/h3-9,12-15,17H,10-11,16H2,1-2H3,(H,29,31).

What are the key properties of 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?

4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 464.95 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 66885355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).