N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide

C18H22F3N5O — CID 78828019

About N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide

N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 78828019) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
• PubChem CID: 78828019
• Molecular Formula: C18H22F3N5O
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.18
• IUPAC Name: N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
• SMILES: CC(C(=O)NC1CC1)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
• InChI: InChI=1S/C18H22F3N5O/c1-11(17(27)22-14-5-6-14)25-8-2-3-12(9-25)16-24-23-15-7-4-13(10-26(15)16)18(19,20)21/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3,(H,22,27)
• InChIKey: RGYUBSIHEJXXPS-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?

The IUPAC name of N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (CID 78828019) is N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.

What is the SMILES notation for N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?

The canonical SMILES for N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1.

What is the InChIKey of N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?

The InChIKey is RGYUBSIHEJXXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-11(17(27)22-14-5-6-14)25-8-2-3-12(9-25)16-24-23-15-7-4-13(10-26(15)16)18(19,20)21/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3,(H,22,27).

What are the key properties of N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?

N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 381.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 78828019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).