N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

C26H32F5N5O4S — CID 10258104

About N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 10258104) has the molecular formula C26H32F5N5O4S and a molecular weight of 605.63 g/mol. Its IUPAC name is N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
• PubChem CID: 10258104
• Molecular Formula: C26H32F5N5O4S
• Molecular Weight: 605.63 g/mol
• Exact Mass: 605.21
• IUPAC Name: N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
• SMILES: Cc1ccc(N2CCC(C(=O)NO)(S(=O)(=O)N3CCC(c4ccc(CCC(F)(F)C(F)(F)F)cn4)CC3)CC2)cn1
• InChI: InChI=1S/C26H32F5N5O4S/c1-18-2-4-21(17-32-18)35-14-10-24(11-15-35,23(37)34-38)41(39,40)36-12-7-20(8-13-36)22-5-3-19(16-33-22)6-9-25(27,28)26(29,30)31/h2-5,16-17,20,38H,6-15H2,1H3,(H,34,37)
• InChIKey: MVVDWKZBOJQVPG-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 115.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.63
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?

The IUPAC name of N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (CID 10258104) is N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)NO)(S(=O)(=O)N3CCC(c4ccc(CCC(F)(F)C(F)(F)F)cn4)CC3)CC2)cn1.

What is the InChIKey of N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?

The InChIKey is MVVDWKZBOJQVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F5N5O4S/c1-18-2-4-21(17-32-18)35-14-10-24(11-15-35,23(37)34-38)41(39,40)36-12-7-20(8-13-36)22-5-3-19(16-33-22)6-9-25(27,28)26(29,30)31/h2-5,16-17,20,38H,6-15H2,1H3,(H,34,37).

What are the key properties of N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?

N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 605.63 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-(6-methyl-3-pyridinyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10258104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).