5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide

C22H22F3N5O4S — CID 146173466

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 146173466) has the molecular formula C22H22F3N5O4S and a molecular weight of 509.51 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 146173466
• Molecular Formula: C22H22F3N5O4S
• Molecular Weight: 509.51 g/mol
• Exact Mass: 509.13
• IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide
• SMILES: CC1CC(C)CN(S(=O)(=O)c2cncc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)o3)c2)C1
• InChI: InChI=1S/C22H22F3N5O4S/c1-13-7-14(2)12-30(11-13)35(32,33)18-8-16(9-26-10-18)19(31)27-21-29-28-20(34-21)15-3-5-17(6-4-15)22(23,24)25/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,27,29,31)
• InChIKey: ZEGWTKCARDLLMQ-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide (CID 146173466) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)c2cncc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)o3)c2)C1.

What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is ZEGWTKCARDLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O4S/c1-13-7-14(2)12-30(11-13)35(32,33)18-8-16(9-26-10-18)19(31)27-21-29-28-20(34-21)15-3-5-17(6-4-15)22(23,24)25/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,27,29,31).

What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide?

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 509.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146173466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).