4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride

C23H20ClF3N8O2 — CID 146345635

About 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride

4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 146345635) has the molecular formula C23H20ClF3N8O2 and a molecular weight of 532.91 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 146345635
• Molecular Formula: C23H20ClF3N8O2
• Molecular Weight: 532.91 g/mol
• Exact Mass: 532.13
• IUPAC Name: 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride
• SMILES: Cl.NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1
• InChI: InChI=1S/C23H19F3N8O2.ClH/c24-23(25,26)18-8-13(11-27)9-20(31-18)36-15-6-7-28-17(10-15)22(35)32-19-3-1-2-16(30-19)21-33-29-12-34(21)14-4-5-14;/h1-3,6-10,12,14H,4-5,11,27H2,(H,30,32,35);1H
• InChIKey: OCLFPYKEJKYXLF-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 133.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.91
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride?

The IUPAC name of 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride (CID 146345635) is 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride is Cl.NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1.

What is the InChIKey of 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride?

The InChIKey is OCLFPYKEJKYXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N8O2.ClH/c24-23(25,26)18-8-13(11-27)9-20(31-18)36-15-6-7-28-17(10-15)22(35)32-19-3-1-2-16(30-19)21-33-29-12-34(21)14-4-5-14;/h1-3,6-10,12,14H,4-5,11,27H2,(H,30,32,35);1H.

What are the key properties of 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride?

4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 532.91 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 146345635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).