2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide

C19H19F6N3O3 — CID 87342561

About 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide

2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 87342561) has the molecular formula C19H19F6N3O3 and a molecular weight of 451.37 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
• PubChem CID: 87342561
• Molecular Formula: C19H19F6N3O3
• Molecular Weight: 451.37 g/mol
• Exact Mass: 451.13
• IUPAC Name: 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
• SMILES: C[C@@H](NC(=O)C(N)Cc1ccccc1OC(F)(F)F)c1ccc(OCC(F)(F)F)cn1
• InChI: InChI=1S/C19H19F6N3O3/c1-11(15-7-6-13(9-27-15)30-10-18(20,21)22)28-17(29)14(26)8-12-4-2-3-5-16(12)31-19(23,24)25/h2-7,9,11,14H,8,10,26H2,1H3,(H,28,29)/t11-,14?/m1/s1
• InChIKey: BLJQTJTWHDKEPP-YNODCEANSA-N
• XLogP: 3.67
• TPSA: 86.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.37
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide?

The IUPAC name of 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide (CID 87342561) is 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide.

What is the SMILES notation for 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide?

The canonical SMILES for 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide is C[C@@H](NC(=O)C(N)Cc1ccccc1OC(F)(F)F)c1ccc(OCC(F)(F)F)cn1.

What is the InChIKey of 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide?

The InChIKey is BLJQTJTWHDKEPP-YNODCEANSA-N. The full InChI is InChI=1S/C19H19F6N3O3/c1-11(15-7-6-13(9-27-15)30-10-18(20,21)22)28-17(29)14(26)8-12-4-2-3-5-16(12)31-19(23,24)25/h2-7,9,11,14H,8,10,26H2,1H3,(H,28,29)/t11-,14?/m1/s1.

What are the key properties of 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide?

2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 451.37 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 87342561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).