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

C25H22F3N5O2 — CID 20790460

IUPAC2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H22F3N5O2/c1-32(2)22(35)15-29-20-13-18(25(26,27)28)23-19(34)14-21(30-16-9-5-3-6-10-16)33(24(23)31-20)17-11-7-4-8-12-17/h3-14,30H,15H2,1-2H3,(H,29,31)
InChIKeyMKHCBOGOZBMVAQ-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.65
Rot. Bonds6

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

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 20790460) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID20790460
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H22F3N5O2/c1-32(2)22(35)15-29-20-13-18(25(26,27)28)23-19(34)14-21(30-16-9-5-3-6-10-16)33(24(23)31-20)17-11-7-4-8-12-17/h3-14,30H,15H2,1-2H3,(H,29,31)
InChIKeyMKHCBOGOZBMVAQ-UHFFFAOYSA-N
XLogP4.65
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
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]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide (CID 20790460) is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1cc(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]amino]-N,N-dimethylacetamide?
The InChIKey is MKHCBOGOZBMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-32(2)22(35)15-29-20-13-18(25(26,27)28)23-19(34)14-21(30-16-9-5-3-6-10-16)33(24(23)31-20)17-11-7-4-8-12-17/h3-14,30H,15H2,1-2H3,(H,29,31).
What are the key properties of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide?
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 481.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 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]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 20790460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).