N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide

C29H29F4N3O2 — CID 143473363

About N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide

N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide (PubChem CID 143473363) has the molecular formula C29H29F4N3O2 and a molecular weight of 527.56 g/mol. Its IUPAC name is N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide.

Molecular Properties

• Compound Name: N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide
• PubChem CID: 143473363
• Molecular Formula: C29H29F4N3O2
• Molecular Weight: 527.56 g/mol
• Exact Mass: 527.22
• IUPAC Name: N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide
• SMILES: CC(=O)c1ccc(C(Cc2ccccc2)(NC(=O)CNC2CCCC2)c2cc(F)cc(C(F)(F)F)c2)nc1
• InChI: InChI=1S/C29H29F4N3O2/c1-19(37)21-11-12-26(35-17-21)28(16-20-7-3-2-4-8-20,36-27(38)18-34-25-9-5-6-10-25)22-13-23(29(31,32)33)15-24(30)14-22/h2-4,7-8,11-15,17,25,34H,5-6,9-10,16,18H2,1H3,(H,36,38)
• InChIKey: FSACFPIHCDWLMC-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.56
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide?

The IUPAC name of N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide (CID 143473363) is N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide.

What is the SMILES notation for N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide?

The canonical SMILES for N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide is CC(=O)c1ccc(C(Cc2ccccc2)(NC(=O)CNC2CCCC2)c2cc(F)cc(C(F)(F)F)c2)nc1.

What is the InChIKey of N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide?

The InChIKey is FSACFPIHCDWLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4N3O2/c1-19(37)21-11-12-26(35-17-21)28(16-20-7-3-2-4-8-20,36-27(38)18-34-25-9-5-6-10-25)22-13-23(29(31,32)33)15-24(30)14-22/h2-4,7-8,11-15,17,25,34H,5-6,9-10,16,18H2,1H3,(H,36,38).

What are the key properties of N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide?

N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide has a molecular weight of 527.56 g/mol, XLogP of 5.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-(cyclopentylamino)acetamide is sourced from PubChem (CID 143473363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).