N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C26H30N4O — CID 110083910

About N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083910) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 110083910
• Molecular Formula: C26H30N4O
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.24
• IUPAC Name: N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
• SMILES: CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(C)n2)CC1
• InChI: InChI=1S/C26H30N4O/c1-20-6-3-10-24(29-20)19-30-14-11-26(12-15-30,25(31)27-2)17-21-7-4-8-22(16-21)23-9-5-13-28-18-23/h3-10,13,16,18H,11-12,14-15,17,19H2,1-2H3,(H,27,31)
• InChIKey: YYKZESUXVUFYFG-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083910) is N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(C)n2)CC1.

What is the InChIKey of N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?

The InChIKey is YYKZESUXVUFYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-20-6-3-10-24(29-20)19-30-14-11-26(12-15-30,25(31)27-2)17-21-7-4-8-22(16-21)23-9-5-13-28-18-23/h3-10,13,16,18H,11-12,14-15,17,19H2,1-2H3,(H,27,31).

What are the key properties of N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?

N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).