2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide

C20H21F3N4O3 — CID 134541251

About 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide

2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide (PubChem CID 134541251) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide
• PubChem CID: 134541251
• Molecular Formula: C20H21F3N4O3
• Molecular Weight: 422.41 g/mol
• Exact Mass: 422.16
• IUPAC Name: 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide
• SMILES: CN(CC(=O)NC(Cc1ccccn1)c1ccccc1)C(=O)CNC(=O)C(F)(F)F
• InChI: InChI=1S/C20H21F3N4O3/c1-27(18(29)12-25-19(30)20(21,22)23)13-17(28)26-16(14-7-3-2-4-8-14)11-15-9-5-6-10-24-15/h2-10,16H,11-13H2,1H3,(H,25,30)(H,26,28)
• InChIKey: NVNGXYJHBWFRJN-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.41
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide (CID 134541251) is 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide is CN(CC(=O)NC(Cc1ccccn1)c1ccccc1)C(=O)CNC(=O)C(F)(F)F.

What is the InChIKey of 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide?

The InChIKey is NVNGXYJHBWFRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-27(18(29)12-25-19(30)20(21,22)23)13-17(28)26-16(14-7-3-2-4-8-14)11-15-9-5-6-10-24-15/h2-10,16H,11-13H2,1H3,(H,25,30)(H,26,28).

What are the key properties of 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide?

2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide has a molecular weight of 422.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 134541251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).