N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide

C27H32N2O3Si — CID 158342092

IUPACN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide
SMILESCOc1ccc(C(C(=O)Cc2ccc([Si](C)(C)C)cc2)N(C)C(=O)Cc2cccnc2)cc1
InChIInChI=1S/C27H32N2O3Si/c1-29(26(31)18-21-7-6-16-28-19-21)27(22-10-12-23(32-2)13-11-22)25(30)17-20-8-14-24(15-9-20)33(3,4)5/h6-16,19,27H,17-18H2,1-5H3
InChIKeyGRHBFRNNWIFPEW-UHFFFAOYSA-N
MW460.65 g/mol
LogP4.19
Rot. Bonds9

About N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide

N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide (PubChem CID 158342092) has the molecular formula C27H32N2O3Si and a molecular weight of 460.65 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide
PubChem CID158342092
Molecular FormulaC27H32N2O3Si
Molecular Weight460.65 g/mol
Exact Mass460.22
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide
SMILESCOc1ccc(C(C(=O)Cc2ccc([Si](C)(C)C)cc2)N(C)C(=O)Cc2cccnc2)cc1
InChIInChI=1S/C27H32N2O3Si/c1-29(26(31)18-21-7-6-16-28-19-21)27(22-10-12-23(32-2)13-11-22)25(30)17-20-8-14-24(15-9-20)33(3,4)5/h6-16,19,27H,17-18H2,1-5H3
InChIKeyGRHBFRNNWIFPEW-UHFFFAOYSA-N
XLogP4.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.65
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-3-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781161
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide
CID 43820847
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781408
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909
2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
CID 5165403
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide (CID 158342092) is N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide is COc1ccc(C(C(=O)Cc2ccc([Si](C)(C)C)cc2)N(C)C(=O)Cc2cccnc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide?
The InChIKey is GRHBFRNNWIFPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3Si/c1-29(26(31)18-21-7-6-16-28-19-21)27(22-10-12-23(32-2)13-11-22)25(30)17-20-8-14-24(15-9-20)33(3,4)5/h6-16,19,27H,17-18H2,1-5H3.
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide?
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide has a molecular weight of 460.65 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-N-methyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 158342092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).