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

C32H21F3N4O2 — CID 155249562

IUPACN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=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)
InChIKeyCGWGXAUPECOCBV-UHFFFAOYSA-N
MW550.54 g/mol
LogP6.80
Rot. Bonds5

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 NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID155249562
Molecular FormulaC32H21F3N4O2
Molecular Weight550.54 g/mol
Exact Mass550.16
IUPAC NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=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)
InChIKeyCGWGXAUPECOCBV-UHFFFAOYSA-N
XLogP6.80
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.54
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).