2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide

C25H21F3N4O3 — CID 20790463

IUPAC2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H21F3N4O3/c1-31(2)22(34)15-35-21-13-18(25(26,27)28)23-19(33)14-20(29-16-9-5-3-6-10-16)32(24(23)30-21)17-11-7-4-8-12-17/h3-14,29H,15H2,1-2H3
InChIKeyNJPPDGIDKZOBDM-UHFFFAOYSA-N
MW482.46 g/mol
LogP4.62
Rot. Bonds6

About 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide (PubChem CID 20790463) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide
PubChem CID20790463
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H21F3N4O3/c1-31(2)22(34)15-35-21-13-18(25(26,27)28)23-19(33)14-20(29-16-9-5-3-6-10-16)32(24(23)30-21)17-11-7-4-8-12-17/h3-14,29H,15H2,1-2H3
InChIKeyNJPPDGIDKZOBDM-UHFFFAOYSA-N
XLogP4.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide (CID 20790463) is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is NJPPDGIDKZOBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c1-31(2)22(34)15-35-21-13-18(25(26,27)28)23-19(33)14-20(29-16-9-5-3-6-10-16)32(24(23)30-21)17-11-7-4-8-12-17/h3-14,29H,15H2,1-2H3.
What are the key properties of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide?
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 482.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 20790463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).