N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide

C24H27F6N3O3 — CID 23566883

About N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide

N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide (PubChem CID 23566883) has the molecular formula C24H27F6N3O3 and a molecular weight of 519.49 g/mol. Its IUPAC name is N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide
• PubChem CID: 23566883
• Molecular Formula: C24H27F6N3O3
• Molecular Weight: 519.49 g/mol
• Exact Mass: 519.20
• IUPAC Name: N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide
• SMILES: Cc1ccnc(C(=O)NC2CC(C)(C)C(Oc3cc(C(F)(F)F)cc(C(F)(F)F)n3)C(C)(C)C2)c1O
• InChI: InChI=1S/C24H27F6N3O3/c1-12-6-7-31-17(18(12)34)19(35)32-14-10-21(2,3)20(22(4,5)11-14)36-16-9-13(23(25,26)27)8-15(33-16)24(28,29)30/h6-9,14,20,34H,10-11H2,1-5H3,(H,32,35)
• InChIKey: NBJFIFHRMWJFMF-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 84.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.49
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide?

The IUPAC name of N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide (CID 23566883) is N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide?

The canonical SMILES for N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)NC2CC(C)(C)C(Oc3cc(C(F)(F)F)cc(C(F)(F)F)n3)C(C)(C)C2)c1O.

What is the InChIKey of N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide?

The InChIKey is NBJFIFHRMWJFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6N3O3/c1-12-6-7-31-17(18(12)34)19(35)32-14-10-21(2,3)20(22(4,5)11-14)36-16-9-13(23(25,26)27)8-15(33-16)24(28,29)30/h6-9,14,20,34H,10-11H2,1-5H3,(H,32,35).

What are the key properties of N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide?

N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide has a molecular weight of 519.49 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4,6-bis(trifluoromethyl)-2-pyridinyl]oxy]-3,3,5,5-tetramethylcyclohexyl]-3-hydroxy-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 23566883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).