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

C24H20F3N5O2 — CID 10298680

IUPAC2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H20F3N5O2/c1-28-21(34)14-29-19-12-17(24(25,26)27)22-18(33)13-20(30-15-8-4-2-5-9-15)32(23(22)31-19)16-10-6-3-7-11-16/h2-13,30H,14H2,1H3,(H,28,34)(H,29,31)
InChIKeyLWBNTBGLDJJLFS-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.31
Rot. Bonds6

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

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide (PubChem CID 10298680) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide
PubChem CID10298680
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H20F3N5O2/c1-28-21(34)14-29-19-12-17(24(25,26)27)22-18(33)13-20(30-15-8-4-2-5-9-15)32(23(22)31-19)16-10-6-3-7-11-16/h2-13,30H,14H2,1H3,(H,28,34)(H,29,31)
InChIKeyLWBNTBGLDJJLFS-UHFFFAOYSA-N
XLogP4.31
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(4,4-difluoro-piperidin-1-yl)-phenylamino]-nicotinamide
CID 118038416
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
6-[(2-Aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide
CID 9949798
6-((1R,2S)-2-aminocyclohexylamino)-2-(m-tolylamino)nicotinamide
CID 44565885
6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-3,4-dihydro-2H-2,7-naphthyridin-1-one
CID 123328993
3-Acyl-2,6-diaminopyridine deriv. 2g
CID 5330821
3-Acyl-2,6-diaminopyridine deriv. 2h
CID 5330822
N-(Phenethylcarbamoyl-methyl)-6-pyrrolidin-1-yl-N-o-tolyl-nicotinamide
CID 655130
N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10574889
2-Phenyl-7-piperidin-1-yl-[1,8]naphthyridin-4-ol
CID 11289724
7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 11415926
2-[3-(4-methylbenzyl)-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 12004759

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-methylacetamide?
The IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide (CID 10298680) is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide is CNC(=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-methylacetamide?
The InChIKey is LWBNTBGLDJJLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-28-21(34)14-29-19-12-17(24(25,26)27)22-18(33)13-20(30-15-8-4-2-5-9-15)32(23(22)31-19)16-10-6-3-7-11-16/h2-13,30H,14H2,1H3,(H,28,34)(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-methylacetamide?
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide has a molecular weight of 467.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 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-methylacetamide is sourced from PubChem (CID 10298680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).