2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate

C20H23BrN2O5 — CID 75416268

IUPAC2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate
SMILESCCOc1cc(Br)c(CC(=O)OCCNC(=O)c2ccncc2)cc1OCC
InChIInChI=1S/C20H23BrN2O5/c1-3-26-17-11-15(16(21)13-18(17)27-4-2)12-19(24)28-10-9-23-20(25)14-5-7-22-8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,25)
InChIKeyRNZBRQIHYKYXLT-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.16
Rot. Bonds10

About 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate

2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate (PubChem CID 75416268) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate
PubChem CID75416268
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC Name2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate
SMILESCCOc1cc(Br)c(CC(=O)OCCNC(=O)c2ccncc2)cc1OCC
InChIInChI=1S/C20H23BrN2O5/c1-3-26-17-11-15(16(21)13-18(17)27-4-2)12-19(24)28-10-9-23-20(25)14-5-7-22-8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,25)
InChIKeyRNZBRQIHYKYXLT-UHFFFAOYSA-N
XLogP3.16
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate 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

2-(2-bromo-4,5-diethoxyphenyl)-N-(2-phenoxyethyl)acetamide
CID 32933896
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-(3-bromophenoxy)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55976654
2-methylprop-2-enyl 2-(2-bromo-4,5-diethoxyphenyl)acetate
CID 55476277
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
2-(2-bromo-4,5-diethoxyphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60599214
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
CID 3405272
methyl 2-[2-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]acetate
CID 22938241
2-(2-bromo-4,5-diethoxyphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 46447585
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2-bromo-4,5-diethoxyphenyl)acetate
CID 27804316

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate?
The IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate (CID 75416268) is 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate?
The canonical SMILES for 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate is CCOc1cc(Br)c(CC(=O)OCCNC(=O)c2ccncc2)cc1OCC.
What is the InChIKey of 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate?
The InChIKey is RNZBRQIHYKYXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-3-26-17-11-15(16(21)13-18(17)27-4-2)12-19(24)28-10-9-23-20(25)14-5-7-22-8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate?
2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate has a molecular weight of 451.32 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate is sourced from PubChem (CID 75416268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).