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

C28H24F3N5O6 — CID 118597190

IUPACmethyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate
SMILESCOC(=O)Oc1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1
InChIInChI=1S/C28H24F3N5O6/c1-40-27(39)42-26-20(16-33-25(38)17-7-10-22(32-15-17)35-11-13-41-14-12-35)23(37)19-8-9-21(28(29,30)31)34-24(19)36(26)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,33,38)
InChIKeyJDTWXQAPCUMWTM-UHFFFAOYSA-N
MW583.52 g/mol
LogP3.71
Rot. Bonds6

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

methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate (PubChem CID 118597190) has the molecular formula C28H24F3N5O6 and a molecular weight of 583.52 g/mol. Its IUPAC name is methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate
PubChem CID118597190
Molecular FormulaC28H24F3N5O6
Molecular Weight583.52 g/mol
Exact Mass583.17
IUPAC Namemethyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate
SMILESCOC(=O)Oc1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1
InChIInChI=1S/C28H24F3N5O6/c1-40-27(39)42-26-20(16-33-25(38)17-7-10-22(32-15-17)35-11-13-41-14-12-35)23(37)19-8-9-21(28(29,30)31)34-24(19)36(26)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,33,38)
InChIKeyJDTWXQAPCUMWTM-UHFFFAOYSA-N
XLogP3.71
TPSA124.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate 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-naphthyridine-2-carboxylate
CID 71208651
[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-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
N-[(1,3-diphenylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 24606874
[7-chloro-3-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] methyl carbonate
CID 118597234
[1-[5-[[7-chloro-2-(dimethylcarbamoyl)-4-oxo-1-phenylquinolin-3-yl]methylcarbamoyl]-2-pyridinyl]piperidin-3-yl] 2,2,2-trifluoroacetate
CID 123383874
N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 71208807
N-[(2-methoxy-4-pyridinyl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18167458
N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 118601546
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773

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-naphthyridin-2-yl] carbonate?
The IUPAC name of methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate (CID 118597190) is methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate.
What is the SMILES notation for methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate?
The canonical SMILES for methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate is COC(=O)Oc1c(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-naphthyridin-2-yl] carbonate?
The InChIKey is JDTWXQAPCUMWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O6/c1-40-27(39)42-26-20(16-33-25(38)17-7-10-22(32-15-17)35-11-13-41-14-12-35)23(37)19-8-9-21(28(29,30)31)34-24(19)36(26)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-naphthyridin-2-yl] carbonate?
methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate has a molecular weight of 583.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 10 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-naphthyridin-2-yl] carbonate is sourced from PubChem (CID 118597190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).