2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide

C20H22F3N5O2 — CID 10251609

About 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide

2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide (PubChem CID 10251609) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
• PubChem CID: 10251609
• Molecular Formula: C20H22F3N5O2
• Molecular Weight: 421.42 g/mol
• Exact Mass: 421.17
• IUPAC Name: 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
• SMILES: CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12
• InChI: InChI=1S/C20H22F3N5O2/c1-19(2,24)18(29)25-15(12-30-11-13-6-4-3-5-7-13)17-27-26-16-9-8-14(10-28(16)17)20(21,22)23/h3-10,15H,11-12,24H2,1-2H3,(H,25,29)/t15-/m1/s1
• InChIKey: UQZCVRPQAGNIFO-OAHLLOKOSA-N
• XLogP: 2.86
• TPSA: 94.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.42
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The IUPAC name of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide (CID 10251609) is 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide.

What is the SMILES notation for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The canonical SMILES for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12.

What is the InChIKey of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The InChIKey is UQZCVRPQAGNIFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-19(2,24)18(29)25-15(12-30-11-13-6-4-3-5-7-13)17-27-26-16-9-8-14(10-28(16)17)20(21,22)23/h3-10,15H,11-12,24H2,1-2H3,(H,25,29)/t15-/m1/s1.

What are the key properties of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide has a molecular weight of 421.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide is sourced from PubChem (CID 10251609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).