2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine

C23H28N4 — CID 162531886

About 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine

2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine (PubChem CID 162531886) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
• PubChem CID: 162531886
• Molecular Formula: C23H28N4
• Molecular Weight: 360.51 g/mol
• Exact Mass: 360.23
• IUPAC Name: 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
• SMILES: CC1=C(Cc2cccc(C3CCC[C@@H](c4ncccc4C)N3)n2)N=CCC1
• InChI: InChI=1S/C23H28N4/c1-16-7-5-13-24-22(16)15-18-9-3-10-19(26-18)20-11-4-12-21(27-20)23-17(2)8-6-14-25-23/h3,6,8-10,13-14,20-21,27H,4-5,7,11-12,15H2,1-2H3/t20?,21-/m0/s1
• InChIKey: CTCQZRWTRHWFAH-LBAQZLPGSA-N
• XLogP: 5.02
• TPSA: 50.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.51
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine?

The IUPAC name of 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine (CID 162531886) is 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine.

What is the SMILES notation for 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine?

The canonical SMILES for 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine is CC1=C(Cc2cccc(C3CCC[C@@H](c4ncccc4C)N3)n2)N=CCC1.

What is the InChIKey of 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine?

The InChIKey is CTCQZRWTRHWFAH-LBAQZLPGSA-N. The full InChI is InChI=1S/C23H28N4/c1-16-7-5-13-24-22(16)15-18-9-3-10-19(26-18)20-11-4-12-21(27-20)23-17(2)8-6-14-25-23/h3,6,8-10,13-14,20-21,27H,4-5,7,11-12,15H2,1-2H3/t20?,21-/m0/s1.

What are the key properties of 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine?

2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine has a molecular weight of 360.51 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 162531886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).