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

C29H23F3N4O2 — CID 155249734

IUPACN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C29H23F3N4O2/c1-2-3-7-26(37)35-25-12-9-19(16-34-25)18-8-11-24-23(14-18)28-20(17-33-24)10-13-27(38)36(28)22-6-4-5-21(15-22)29(30,31)32/h4-6,8-17H,2-3,7H2,1H3,(H,34,35,37)
InChIKeyGMNWMTBJBPHHCW-UHFFFAOYSA-N
MW516.52 g/mol
LogP6.75
Rot. Bonds6

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

N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide (PubChem CID 155249734) has the molecular formula C29H23F3N4O2 and a molecular weight of 516.52 g/mol. Its IUPAC name is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide
PubChem CID155249734
Molecular FormulaC29H23F3N4O2
Molecular Weight516.52 g/mol
Exact Mass516.18
IUPAC NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C29H23F3N4O2/c1-2-3-7-26(37)35-25-12-9-19(16-34-25)18-8-11-24-23(14-18)28-20(17-33-24)10-13-27(38)36(28)22-6-4-5-21(15-22)29(30,31)32/h4-6,8-17H,2-3,7H2,1H3,(H,34,35,37)
InChIKeyGMNWMTBJBPHHCW-UHFFFAOYSA-N
XLogP6.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.52
LogP ≤ 56.75
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]pentanamide?
The IUPAC name of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide (CID 155249734) is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is GMNWMTBJBPHHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O2/c1-2-3-7-26(37)35-25-12-9-19(16-34-25)18-8-11-24-23(14-18)28-20(17-33-24)10-13-27(38)36(28)22-6-4-5-21(15-22)29(30,31)32/h4-6,8-17H,2-3,7H2,1H3,(H,34,35,37).
What are the key properties of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide?
N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]-2-pyridinyl]pentanamide has a molecular weight of 516.52 g/mol, XLogP of 6.75, 6 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]pentanamide is sourced from PubChem (CID 155249734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).