2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C27H29F2N3O — CID 46068699

About 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 46068699) has the molecular formula C27H29F2N3O and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
• PubChem CID: 46068699
• Molecular Formula: C27H29F2N3O
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.23
• IUPAC Name: 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(F)c3F)CC2)cc1
• InChI: InChI=1S/C27H29F2N3O/c1-18-6-9-20(10-7-18)16-30-27(33)23-11-8-19(2)31-26(23)21-12-14-32(15-13-21)17-22-4-3-5-24(28)25(22)29/h3-11,21H,12-17H2,1-2H3,(H,30,33)
• InChIKey: WUABZUHYFCZYRD-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?

The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 46068699) is 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(F)c3F)CC2)cc1.

What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?

The InChIKey is WUABZUHYFCZYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O/c1-18-6-9-20(10-7-18)16-30-27(33)23-11-8-19(2)31-26(23)21-12-14-32(15-13-21)17-22-4-3-5-24(28)25(22)29/h3-11,21H,12-17H2,1-2H3,(H,30,33).

What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?

2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46068699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).