3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide

C26H23F3N4O2 — CID 20790996

IUPAC3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H23F3N4O2/c1-32(2)23(35)14-13-18-15-20(26(27,28)29)24-21(34)16-22(30-17-9-5-3-6-10-17)33(25(24)31-18)19-11-7-4-8-12-19/h3-12,15-16,30H,13-14H2,1-2H3
InChIKeyAYSXXHNWTBSAKJ-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.17
Rot. Bonds6

About 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide

3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide (PubChem CID 20790996) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide
PubChem CID20790996
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H23F3N4O2/c1-32(2)23(35)14-13-18-15-20(26(27,28)29)24-21(34)16-22(30-17-9-5-3-6-10-17)33(25(24)31-18)19-11-7-4-8-12-19/h3-12,15-16,30H,13-14H2,1-2H3
InChIKeyAYSXXHNWTBSAKJ-UHFFFAOYSA-N
XLogP5.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide (CID 20790996) is 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide?
The InChIKey is AYSXXHNWTBSAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-32(2)23(35)14-13-18-15-20(26(27,28)29)24-21(34)16-22(30-17-9-5-3-6-10-17)33(25(24)31-18)19-11-7-4-8-12-19/h3-12,15-16,30H,13-14H2,1-2H3.
What are the key properties of 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide?
3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide has a molecular weight of 480.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 20790996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).