2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid

C24H32N2O3Si — CID 70120427

IUPAC2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid
SMILESCCC(Cc1ncccc1Cc1ccc(C#N)cc1O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C24H32N2O3Si/c1-7-18(23(27)28)15-21-19(9-8-12-26-21)14-20-11-10-17(16-25)13-22(20)29-30(5,6)24(2,3)4/h8-13,18H,7,14-15H2,1-6H3,(H,27,28)
InChIKeyJZDGJEXQYOESPP-UHFFFAOYSA-N
MW424.62 g/mol
LogP5.58
Rot. Bonds8

About 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid

2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid (PubChem CID 70120427) has the molecular formula C24H32N2O3Si and a molecular weight of 424.62 g/mol. Its IUPAC name is 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid
PubChem CID70120427
Molecular FormulaC24H32N2O3Si
Molecular Weight424.62 g/mol
Exact Mass424.22
IUPAC Name2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid
SMILESCCC(Cc1ncccc1Cc1ccc(C#N)cc1O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C24H32N2O3Si/c1-7-18(23(27)28)15-21-19(9-8-12-26-21)14-20-11-10-17(16-25)13-22(20)29-30(5,6)24(2,3)4/h8-13,18H,7,14-15H2,1-6H3,(H,27,28)
InChIKeyJZDGJEXQYOESPP-UHFFFAOYSA-N
XLogP5.58
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.62
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic 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

3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile
CID 167718613
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
CID 156632330
4-[tert-butyl(dimethyl)silyl]oxy-3-iodobenzonitrile
CID 167726448
2-[(4-cyano-2-pyridinyl)amino]butanoic acid
CID 43470148
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705
4-[[2-(methylaminomethyl)-3-pyridinyl]methyl]benzonitrile
CID 70196230
5-cyano-2-ethoxybenzoic acid
CID 51712745
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-formylbenzonitrile
CID 166136317
3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-phenylprop-2-yn-1-one
CID 169002345
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid
CID 18443665
tert-butyl 2-(2-cyano-3-pyridinyl)acetate
CID 135394891
3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile
CID 69026897

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid?
The IUPAC name of 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid (CID 70120427) is 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid?
The canonical SMILES for 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid is CCC(Cc1ncccc1Cc1ccc(C#N)cc1O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid?
The InChIKey is JZDGJEXQYOESPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3Si/c1-7-18(23(27)28)15-21-19(9-8-12-26-21)14-20-11-10-17(16-25)13-22(20)29-30(5,6)24(2,3)4/h8-13,18H,7,14-15H2,1-6H3,(H,27,28).
What are the key properties of 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid?
2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid has a molecular weight of 424.62 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid is sourced from PubChem (CID 70120427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).