methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate

C24H23BrFN3O5 — CID 21035363

IUPACmethyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(F)ccc1COc1cc(C)n(-c2cc(C(N)=O)ccc2C)c(=O)c1Br
InChIInChI=1S/C24H23BrFN3O5/c1-13-4-5-15(22(27)30)10-19(13)29-14(2)8-20(21(25)23(29)31)34-12-16-6-7-18(26)9-17(16)11-28-24(32)33-3/h4-10H,11-12H2,1-3H3,(H2,27,30)(H,28,32)
InChIKeySBZTUCRTPRONNL-UHFFFAOYSA-N
MW532.37 g/mol
LogP3.89
Rot. Bonds7

About methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate

methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate (PubChem CID 21035363) has the molecular formula C24H23BrFN3O5 and a molecular weight of 532.37 g/mol. Its IUPAC name is methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate
PubChem CID21035363
Molecular FormulaC24H23BrFN3O5
Molecular Weight532.37 g/mol
Exact Mass531.08
IUPAC Namemethyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(F)ccc1COc1cc(C)n(-c2cc(C(N)=O)ccc2C)c(=O)c1Br
InChIInChI=1S/C24H23BrFN3O5/c1-13-4-5-15(22(27)30)10-19(13)29-14(2)8-20(21(25)23(29)31)34-12-16-6-7-18(26)9-17(16)11-28-24(32)33-3/h4-10H,11-12H2,1-3H3,(H2,27,30)(H,28,32)
InChIKeySBZTUCRTPRONNL-UHFFFAOYSA-N
XLogP3.89
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate with MolForge

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Related Compounds

[2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid
CID 151118344
3-[3-bromo-4-[(4-fluoro-2-methylphenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
CID 138530072
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 21035300
3-[4-[[4-fluoro-2-[(methoxycarbonylamino)methyl]phenyl]methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 22050631
methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chlorobenzoate
CID 22050601
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chloro-N-methylbenzamide
CID 56662990
3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-(hydroxymethyl)-6-oxopyrimidin-1-yl]-4-methylbenzamide
CID 21089229
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(methylcarbamoyl)benzoic acid
CID 22050889
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 142776167
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447
1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050202

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate?
The IUPAC name of methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate (CID 21035363) is methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate is COC(=O)NCc1cc(F)ccc1COc1cc(C)n(-c2cc(C(N)=O)ccc2C)c(=O)c1Br.
What is the InChIKey of methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate?
The InChIKey is SBZTUCRTPRONNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrFN3O5/c1-13-4-5-15(22(27)30)10-19(13)29-14(2)8-20(21(25)23(29)31)34-12-16-6-7-18(26)9-17(16)11-28-24(32)33-3/h4-10H,11-12H2,1-3H3,(H2,27,30)(H,28,32).
What are the key properties of methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate?
methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate has a molecular weight of 532.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-[[3-bromo-1-(5-carbamoyl-2-methylphenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]carbamate is sourced from PubChem (CID 21035363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).