N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide

C25H27N5O3 — CID 110151321

About N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide

N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide (PubChem CID 110151321) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide
• PubChem CID: 110151321
• Molecular Formula: C25H27N5O3
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.21
• IUPAC Name: N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide
• SMILES: CNC(=O)c1cccc(C2CN(C(=O)c3cccnc3Oc3ccc(C)nc3)CCN2C)c1
• InChI: InChI=1S/C25H27N5O3/c1-17-9-10-20(15-28-17)33-24-21(8-5-11-27-24)25(32)30-13-12-29(3)22(16-30)18-6-4-7-19(14-18)23(31)26-2/h4-11,14-15,22H,12-13,16H2,1-3H3,(H,26,31)
• InChIKey: KRUNGXRMWZWUFG-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide?

The IUPAC name of N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide (CID 110151321) is N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide.

What is the SMILES notation for N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide?

The canonical SMILES for N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide is CNC(=O)c1cccc(C2CN(C(=O)c3cccnc3Oc3ccc(C)nc3)CCN2C)c1.

What is the InChIKey of N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide?

The InChIKey is KRUNGXRMWZWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17-9-10-20(15-28-17)33-24-21(8-5-11-27-24)25(32)30-13-12-29(3)22(16-30)18-6-4-7-19(14-18)23(31)26-2/h4-11,14-15,22H,12-13,16H2,1-3H3,(H,26,31).

What are the key properties of N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide?

N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[1-methyl-4-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]benzamide is sourced from PubChem (CID 110151321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).