methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate

C20H21BrN2O6 — CID 3788053

IUPACmethyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(OCC2CN(C(=O)c3cc(OC)ccc3Br)CCO2)c1
InChIInChI=1S/C20H21BrN2O6/c1-26-14-3-4-18(21)17(8-14)19(24)23-5-6-28-16(11-23)12-29-15-7-13(9-22-10-15)20(25)27-2/h3-4,7-10,16H,5-6,11-12H2,1-2H3
InChIKeyOZXPAUNKUFPAEX-UHFFFAOYSA-N
MW465.30 g/mol
LogP2.56
Rot. Bonds6

About methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate

methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate (PubChem CID 3788053) has the molecular formula C20H21BrN2O6 and a molecular weight of 465.30 g/mol. Its IUPAC name is methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
PubChem CID3788053
Molecular FormulaC20H21BrN2O6
Molecular Weight465.30 g/mol
Exact Mass464.06
IUPAC Namemethyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(OCC2CN(C(=O)c3cc(OC)ccc3Br)CCO2)c1
InChIInChI=1S/C20H21BrN2O6/c1-26-14-3-4-18(21)17(8-14)19(24)23-5-6-28-16(11-23)12-29-15-7-13(9-22-10-15)20(25)27-2/h3-4,7-10,16H,5-6,11-12H2,1-2H3
InChIKeyOZXPAUNKUFPAEX-UHFFFAOYSA-N
XLogP2.56
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-(2-iodobenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3750050
methyl 5-[[4-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3736387
methyl 5-[[4-(1,3-benzodioxol-5-ylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3691225
methyl 5-[[4-[[2-(trifluoromethoxy)phenyl]carbamothioyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3375913
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 3737698
methyl 5-[[4-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3688423
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81484079
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate (CID 3788053) is methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate is COC(=O)c1cncc(OCC2CN(C(=O)c3cc(OC)ccc3Br)CCO2)c1.
What is the InChIKey of methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate?
The InChIKey is OZXPAUNKUFPAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O6/c1-26-14-3-4-18(21)17(8-14)19(24)23-5-6-28-16(11-23)12-29-15-7-13(9-22-10-15)20(25)27-2/h3-4,7-10,16H,5-6,11-12H2,1-2H3.
What are the key properties of methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate?
methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate has a molecular weight of 465.30 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(2-bromo-5-methoxybenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 3788053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).