(3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

C19H19F3N6O — CID 97416526

About (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

(3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (PubChem CID 97416526) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
• PubChem CID: 97416526
• Molecular Formula: C19H19F3N6O
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.16
• IUPAC Name: (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
• SMILES: O=C(NCc1ccncc1)[C@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1
• InChI: InChI=1S/C19H19F3N6O/c20-19(21,22)15-3-4-16-25-26-18(28(16)12-15)27-9-1-2-14(11-27)17(29)24-10-13-5-7-23-8-6-13/h3-8,12,14H,1-2,9-11H2,(H,24,29)/t14-/m0/s1
• InChIKey: RJARBJLBXIDGTI-AWEZNQCLSA-N
• XLogP: 2.68
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.40
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (CID 97416526) is (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is O=C(NCc1ccncc1)[C@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1.

What is the InChIKey of (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The InChIKey is RJARBJLBXIDGTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19F3N6O/c20-19(21,22)15-3-4-16-25-26-18(28(16)12-15)27-9-1-2-14(11-27)17(29)24-10-13-5-7-23-8-6-13/h3-8,12,14H,1-2,9-11H2,(H,24,29)/t14-/m0/s1.

What are the key properties of (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

(3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 97416526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).