6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

C20H26ClF3N6O2 — CID 146382161

About 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 146382161) has the molecular formula C20H26ClF3N6O2 and a molecular weight of 474.92 g/mol. Its IUPAC name is 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• PubChem CID: 146382161
• Molecular Formula: C20H26ClF3N6O2
• Molecular Weight: 474.92 g/mol
• Exact Mass: 474.18
• IUPAC Name: 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(Cl)cc1NC1CCC(c2cnn(C(F)F)n2)CC1
• InChI: InChI=1S/C20H26ClF3N6O2/c1-20(2,32)16(22)10-26-18(31)13-8-25-17(21)7-14(13)28-12-5-3-11(4-6-12)15-9-27-30(29-15)19(23)24/h7-9,11-12,16,19,32H,3-6,10H2,1-2H3,(H,25,28)(H,26,31)
• InChIKey: HRJSSJMWJGLCEX-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 104.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.92
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?

The IUPAC name of 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 146382161) is 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(Cl)cc1NC1CCC(c2cnn(C(F)F)n2)CC1.

What is the InChIKey of 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?

The InChIKey is HRJSSJMWJGLCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClF3N6O2/c1-20(2,32)16(22)10-26-18(31)13-8-25-17(21)7-14(13)28-12-5-3-11(4-6-12)15-9-27-30(29-15)19(23)24/h7-9,11-12,16,19,32H,3-6,10H2,1-2H3,(H,25,28)(H,26,31).

What are the key properties of 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?

6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 474.92 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 146382161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).