2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide

C28H21F3N4O2 — CID 87251881

IUPAC2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide
SMILESO=C(NC1=CC=CN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)C1)C(F)(F)F
InChIInChI=1S/C28H21F3N4O2/c29-28(30,31)27(37)33-21-7-4-14-35(17-21)16-18-8-10-20(11-9-18)25-22(19-5-2-1-3-6-19)15-23-24(34-25)12-13-32-26(23)36/h1-15H,16-17H2,(H,32,36)(H,33,37)
InChIKeyJSDLUGZLDYHYEH-UHFFFAOYSA-N
MW502.50 g/mol
LogP5.15
Rot. Bonds5

About 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide

2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide (PubChem CID 87251881) has the molecular formula C28H21F3N4O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide
PubChem CID87251881
Molecular FormulaC28H21F3N4O2
Molecular Weight502.50 g/mol
Exact Mass502.16
IUPAC Name2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide
SMILESO=C(NC1=CC=CN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)C1)C(F)(F)F
InChIInChI=1S/C28H21F3N4O2/c29-28(30,31)27(37)33-21-7-4-14-35(17-21)16-18-8-10-20(11-9-18)25-22(19-5-2-1-3-6-19)15-23-24(34-25)12-13-32-26(23)36/h1-15H,16-17H2,(H,32,36)(H,33,37)
InChIKeyJSDLUGZLDYHYEH-UHFFFAOYSA-N
XLogP5.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide (CID 87251881) is 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide is O=C(NC1=CC=CN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide?
The InChIKey is JSDLUGZLDYHYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O2/c29-28(30,31)27(37)33-21-7-4-14-35(17-21)16-18-8-10-20(11-9-18)25-22(19-5-2-1-3-6-19)15-23-24(34-25)12-13-32-26(23)36/h1-15H,16-17H2,(H,32,36)(H,33,37).
What are the key properties of 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide?
2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide has a molecular weight of 502.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide is sourced from PubChem (CID 87251881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).