N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide

C32H21F3N4O2 — CID 155249562

About N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide

N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 155249562) has the molecular formula C32H21F3N4O2 and a molecular weight of 550.54 g/mol. Its IUPAC name is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide
• PubChem CID: 155249562
• Molecular Formula: C32H21F3N4O2
• Molecular Weight: 550.54 g/mol
• Exact Mass: 550.16
• IUPAC Name: N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
• InChI: InChI=1S/C32H21F3N4O2/c33-32(34,35)24-7-4-8-25(17-24)39-30(41)14-11-23-19-36-27-12-9-21(16-26(27)31(23)39)22-10-13-28(37-18-22)38-29(40)15-20-5-2-1-3-6-20/h1-14,16-19H,15H2,(H,37,38,40)
• InChIKey: CGWGXAUPECOCBV-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.54
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide (CID 155249562) is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide?

The canonical SMILES for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.

What is the InChIKey of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide?

The InChIKey is CGWGXAUPECOCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21F3N4O2/c33-32(34,35)24-7-4-8-25(17-24)39-30(41)14-11-23-19-36-27-12-9-21(16-26(27)31(23)39)22-10-13-28(37-18-22)38-29(40)15-20-5-2-1-3-6-20/h1-14,16-19H,15H2,(H,37,38,40).

What are the key properties of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide?

N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 550.54 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 155249562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).