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

C27H19F3N4O2 — CID 155249545

IUPACN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C27H19F3N4O2/c1-2-24(35)33-23-10-7-17(14-32-23)16-6-9-22-21(12-16)26-18(15-31-22)8-11-25(36)34(26)20-5-3-4-19(13-20)27(28,29)30/h3-15H,2H2,1H3,(H,32,33,35)
InChIKeyOSCKRJSVFBISNB-UHFFFAOYSA-N
MW488.47 g/mol
LogP5.97
Rot. Bonds4

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

N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide (PubChem CID 155249545) has the molecular formula C27H19F3N4O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide
PubChem CID155249545
Molecular FormulaC27H19F3N4O2
Molecular Weight488.47 g/mol
Exact Mass488.15
IUPAC NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C27H19F3N4O2/c1-2-24(35)33-23-10-7-17(14-32-23)16-6-9-22-21(12-16)26-18(15-31-22)8-11-25(36)34(26)20-5-3-4-19(13-20)27(28,29)30/h3-15H,2H2,1H3,(H,32,33,35)
InChIKeyOSCKRJSVFBISNB-UHFFFAOYSA-N
XLogP5.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.97
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]propanamide?
The IUPAC name of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide (CID 155249545) is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide is CCC(=O)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]propanamide?
The InChIKey is OSCKRJSVFBISNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O2/c1-2-24(35)33-23-10-7-17(14-32-23)16-6-9-22-21(12-16)26-18(15-31-22)8-11-25(36)34(26)20-5-3-4-19(13-20)27(28,29)30/h3-15H,2H2,1H3,(H,32,33,35).
What are the key properties of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide?
N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]propanamide has a molecular weight of 488.47 g/mol, XLogP of 5.97, 4 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]propanamide is sourced from PubChem (CID 155249545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).