6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide

C32H40FN5O2 — CID 143279579

About 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide

6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 143279579) has the molecular formula C32H40FN5O2 and a molecular weight of 545.70 g/mol. Its IUPAC name is 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide
• PubChem CID: 143279579
• Molecular Formula: C32H40FN5O2
• Molecular Weight: 545.70 g/mol
• Exact Mass: 545.32
• IUPAC Name: 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCC(N3CCN(c4ncc(C(=O)NCc5ccc(F)c(C)c5)cc4O)CC3)CC2)cc1
• InChI: InChI=1S/C32H40FN5O2/c1-3-24-4-6-25(7-5-24)22-36-12-10-28(11-13-36)37-14-16-38(17-15-37)31-30(39)19-27(21-34-31)32(40)35-20-26-8-9-29(33)23(2)18-26/h4-9,18-19,21,28,39H,3,10-17,20,22H2,1-2H3,(H,35,40)
• InChIKey: DUDIYYATQZUGIF-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 71.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.70
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide?

The IUPAC name of 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide (CID 143279579) is 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide?

The canonical SMILES for 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide is CCc1ccc(CN2CCC(N3CCN(c4ncc(C(=O)NCc5ccc(F)c(C)c5)cc4O)CC3)CC2)cc1.

What is the InChIKey of 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide?

The InChIKey is DUDIYYATQZUGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FN5O2/c1-3-24-4-6-25(7-5-24)22-36-12-10-28(11-13-36)37-14-16-38(17-15-37)31-30(39)19-27(21-34-31)32(40)35-20-26-8-9-29(33)23(2)18-26/h4-9,18-19,21,28,39H,3,10-17,20,22H2,1-2H3,(H,35,40).

What are the key properties of 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide?

6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 545.70 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 143279579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).