N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide

C20H26F3N5O2 — CID 24596936

About N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide

N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide (PubChem CID 24596936) has the molecular formula C20H26F3N5O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide
• PubChem CID: 24596936
• Molecular Formula: C20H26F3N5O2
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.20
• IUPAC Name: N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide
• SMILES: CC(C)C(NC(=O)C1CCCCC1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12
• InChI: InChI=1S/C20H26F3N5O2/c1-12(2)17(25-18(29)13-6-4-3-5-7-13)19(30)24-10-16-27-26-15-9-8-14(11-28(15)16)20(21,22)23/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,24,30)(H,25,29)
• InChIKey: OJUQFSWTWQATDX-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide?

The IUPAC name of N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide (CID 24596936) is N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide.

What is the SMILES notation for N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide?

The canonical SMILES for N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide is CC(C)C(NC(=O)C1CCCCC1)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12.

What is the InChIKey of N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide?

The InChIKey is OJUQFSWTWQATDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O2/c1-12(2)17(25-18(29)13-6-4-3-5-7-13)19(30)24-10-16-27-26-15-9-8-14(11-28(15)16)20(21,22)23/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,24,30)(H,25,29).

What are the key properties of N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide?

N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide has a molecular weight of 425.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-oxo-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]butan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 24596936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).