3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide

C26H28N4O2 — CID 66885163

About 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide

3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66885163) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
• PubChem CID: 66885163
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
• SMILES: Cc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cncc(C)c4)CC3C)c2)nc1
• InChI: InChI=1S/C26H28N4O2/c1-18-7-8-25(28-15-18)32-24-6-4-5-21(13-24)12-22-9-10-30(17-20(22)3)26(31)29-23-11-19(2)14-27-16-23/h4-8,11-16,20H,9-10,17H2,1-3H3,(H,29,31)
• InChIKey: ANTPATPYVJZEIM-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?

The IUPAC name of 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 66885163) is 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide.

What is the SMILES notation for 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?

The canonical SMILES for 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cncc(C)c4)CC3C)c2)nc1.

What is the InChIKey of 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?

The InChIKey is ANTPATPYVJZEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18-7-8-25(28-15-18)32-24-6-4-5-21(13-24)12-22-9-10-30(17-20(22)3)26(31)29-23-11-19(2)14-27-16-23/h4-8,11-16,20H,9-10,17H2,1-3H3,(H,29,31).

What are the key properties of 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?

3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66885163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).