5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide

C24H24F3N5O4S — CID 170282911

About 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide

5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide (PubChem CID 170282911) has the molecular formula C24H24F3N5O4S and a molecular weight of 535.55 g/mol. Its IUPAC name is 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide
• PubChem CID: 170282911
• Molecular Formula: C24H24F3N5O4S
• Molecular Weight: 535.55 g/mol
• Exact Mass: 535.15
• IUPAC Name: 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide
• SMILES: Cc1c(C(N)=O)cncc1-c1ccc(S(=O)(=O)N2CC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H](O)C2)cc1
• InChI: InChI=1S/C24H24F3N5O4S/c1-14-18(11-29-12-19(14)23(28)34)15-2-5-17(6-3-15)37(35,36)32-9-8-20(21(33)13-32)31-22-7-4-16(10-30-22)24(25,26)27/h2-7,10-12,20-21,33H,8-9,13H2,1H3,(H2,28,34)(H,30,31)/t20-,21+/m1/s1
• InChIKey: HHQRYNHBCKGIEN-RTWAWAEBSA-N
• XLogP: 2.81
• TPSA: 138.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.55
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide?

The IUPAC name of 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide (CID 170282911) is 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide?

The canonical SMILES for 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide is Cc1c(C(N)=O)cncc1-c1ccc(S(=O)(=O)N2CC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H](O)C2)cc1.

What is the InChIKey of 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide?

The InChIKey is HHQRYNHBCKGIEN-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H24F3N5O4S/c1-14-18(11-29-12-19(14)23(28)34)15-2-5-17(6-3-15)37(35,36)32-9-8-20(21(33)13-32)31-22-7-4-16(10-30-22)24(25,26)27/h2-7,10-12,20-21,33H,8-9,13H2,1H3,(H2,28,34)(H,30,31)/t20-,21+/m1/s1.

What are the key properties of 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide?

5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide has a molecular weight of 535.55 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 170282911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).