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

C25H21F3N4O2S — CID 20790466

IUPAC2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H21F3N4O2S/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
InChIKeyMXBGYWDVXXUAPO-UHFFFAOYSA-N
MW498.53 g/mol
LogP5.33
Rot. Bonds6

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

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 20790466) has the molecular formula C25H21F3N4O2S and a molecular weight of 498.53 g/mol. Its IUPAC name is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID20790466
Molecular FormulaC25H21F3N4O2S
Molecular Weight498.53 g/mol
Exact Mass498.13
IUPAC Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H21F3N4O2S/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
InChIKeyMXBGYWDVXXUAPO-UHFFFAOYSA-N
XLogP5.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(Dimethylamino)phenyl]-2-({4-hydroxy-5,7-dimethylpyrido[2,3-D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135467387
N-[4-(Diethylamino)phenyl]-2-({4-hydroxy-5,7-dimethylpyrido[2,3-D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135467388
2-({3-benzyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)butanamide
CID 6623057
N-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2425193
2-((3-benzyl-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 20879153
N-(4-Fluorophenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-pyrido[2,3-D]pyrimidin-2-YL}sulfanyl)butanamide
CID 20879210
2-Anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10115683
2-Anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10116626
2-Anilino-7-(2-methylpropylsulfonyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10141797
2-Anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10161313
2-Anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10162237
N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-5,8-dihydro-1,8-naphthyridin-2-yl]methanesulfonamide
CID 10162479

Frequently Asked Questions

What is the IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 20790466) is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSc1cc(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]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is MXBGYWDVXXUAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2S/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]sulfanyl]-N,N-dimethylacetamide?
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 498.53 g/mol, XLogP of 5.33, 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]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 20790466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).