6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid

C24H33N5O7Si — CID 23004081

IUPAC6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid
SMILESCCC1=C(C(=O)O)CC(C(=O)OCC[Si](C)(C)C)=C(COCCCN=[N+]=[N-])N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H33N5O7Si/c1-5-21-19(23(30)31)15-20(24(32)36-13-14-37(2,3)4)22(16-35-12-6-11-26-27-25)28(21)17-7-9-18(10-8-17)29(33)34/h7-10H,5-6,11-16H2,1-4H3,(H,30,31)
InChIKeyMTMBYTKEMCVGLJ-UHFFFAOYSA-N
MW531.64 g/mol
LogP5.41
Rot. Bonds14

About 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid

6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid (PubChem CID 23004081) has the molecular formula C24H33N5O7Si and a molecular weight of 531.64 g/mol. Its IUPAC name is 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid
PubChem CID23004081
Molecular FormulaC24H33N5O7Si
Molecular Weight531.64 g/mol
Exact Mass531.21
IUPAC Name6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid
SMILESCCC1=C(C(=O)O)CC(C(=O)OCC[Si](C)(C)C)=C(COCCCN=[N+]=[N-])N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H33N5O7Si/c1-5-21-19(23(30)31)15-20(24(32)36-13-14-37(2,3)4)22(16-35-12-6-11-26-27-25)28(21)17-7-9-18(10-8-17)29(33)34/h7-10H,5-6,11-16H2,1-4H3,(H,30,31)
InChIKeyMTMBYTKEMCVGLJ-UHFFFAOYSA-N
XLogP5.41
TPSA167.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.64
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid 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

5-[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethoxy]-5-oxopentanoic acid
CID 21033093
5-methoxycarbonyl-6-methyl-1-(4-nitrophenyl)-2-propyl-4H-pyridine-3-carboxylic acid
CID 18360780
3-O-ethyl 5-O-methyl 2-(2-ethoxy-2-oxoethyl)-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
CID 22009032
5-acetyl-2-(3-azidopropoxymethyl)-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 23004062
2-cyanoethyl 5-acetyl-2-(3-azidopropoxymethyl)-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylate
CID 23004063
5-acetyl-2-(2-azidoethoxymethyl)-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 23004085
2-(2-azidoethoxymethyl)-6-methyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid
CID 23004091
5-(2-cyanoethoxycarbonyl)-6-ethyl-2-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 23004104
5-(2-cyanoethoxycarbonyl)-2,6-diethyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 23004106
2-hexyl-5-methoxycarbonyl-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 23004109
3-O-tert-butyl 5-O-(2-cyanoethyl) 2-(2-azidoethoxymethyl)-6-ethyl-1-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
CID 23004122
6-(2-azidoethoxymethyl)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 23004153

Frequently Asked Questions

What is the IUPAC name of 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid (CID 23004081) is 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid is CCC1=C(C(=O)O)CC(C(=O)OCC[Si](C)(C)C)=C(COCCCN=[N+]=[N-])N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid?
The InChIKey is MTMBYTKEMCVGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O7Si/c1-5-21-19(23(30)31)15-20(24(32)36-13-14-37(2,3)4)22(16-35-12-6-11-26-27-25)28(21)17-7-9-18(10-8-17)29(33)34/h7-10H,5-6,11-16H2,1-4H3,(H,30,31).
What are the key properties of 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid?
6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid has a molecular weight of 531.64 g/mol, XLogP of 5.41, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azidopropoxymethyl)-2-ethyl-1-(4-nitrophenyl)-5-(2-trimethylsilylethoxycarbonyl)-4H-pyridine-3-carboxylic acid is sourced from PubChem (CID 23004081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).