methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate

C28H24F3N5O5 — CID 71208651

IUPACmethyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1
InChIInChI=1S/C28H24F3N5O5/c1-40-27(39)23-20(16-33-26(38)17-7-10-22(32-15-17)35-11-13-41-14-12-35)24(37)19-8-9-21(28(29,30)31)34-25(19)36(23)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,33,38)
InChIKeyBFYNLCBVTYVPLX-UHFFFAOYSA-N
MW567.52 g/mol
LogP3.35
Rot. Bonds6

About methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate

methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate (PubChem CID 71208651) has the molecular formula C28H24F3N5O5 and a molecular weight of 567.52 g/mol. Its IUPAC name is methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
PubChem CID71208651
Molecular FormulaC28H24F3N5O5
Molecular Weight567.52 g/mol
Exact Mass567.17
IUPAC Namemethyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1
InChIInChI=1S/C28H24F3N5O5/c1-40-27(39)23-20(16-33-26(38)17-7-10-22(32-15-17)35-11-13-41-14-12-35)24(37)19-8-9-21(28(29,30)31)34-25(19)36(23)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,33,38)
InChIKeyBFYNLCBVTYVPLX-UHFFFAOYSA-N
XLogP3.35
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate 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

methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate
CID 118597190
[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate
CID 118597235
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 18142338
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122253835
N-[(1,3-diphenylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 24606874
[1-[5-[[7-chloro-2-(dimethylcarbamoyl)-4-oxo-1-phenylquinolin-3-yl]methylcarbamoyl]-2-pyridinyl]piperidin-3-yl] 2,2,2-trifluoroacetate
CID 123383874
methyl 3-[[(4-fluorobenzoyl)amino]methyl]-7-methoxy-4-oxo-1-phenylquinoline-2-carboxylate
CID 71208938
methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate
CID 71208704
N-[(2-methoxy-4-pyridinyl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18167458
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
methyl 7-chloro-4-oxo-1-phenyl-3-[[(4-sulfamoylbenzoyl)amino]methyl]quinoline-2-carboxylate
CID 71208509
N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 71208807

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate?
The IUPAC name of methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate (CID 71208651) is methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate is COC(=O)c1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1.
What is the InChIKey of methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate?
The InChIKey is BFYNLCBVTYVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O5/c1-40-27(39)23-20(16-33-26(38)17-7-10-22(32-15-17)35-11-13-41-14-12-35)24(37)19-8-9-21(28(29,30)31)34-25(19)36(23)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,33,38).
What are the key properties of methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate?
methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate has a molecular weight of 567.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate is sourced from PubChem (CID 71208651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).