2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate

C18H26N2O2Si — CID 139986719

IUPAC2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1C=CC(c2cccc(CN)c2)=CC1
InChIInChI=1S/C18H26N2O2Si/c1-23(2,3)12-11-22-18(21)20-9-7-16(8-10-20)17-6-4-5-15(13-17)14-19/h4-9,13H,10-12,14,19H2,1-3H3
InChIKeyUTIBEHRZWPXGBB-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.83
Rot. Bonds5

About 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate

2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate (PubChem CID 139986719) has the molecular formula C18H26N2O2Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate
PubChem CID139986719
Molecular FormulaC18H26N2O2Si
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1C=CC(c2cccc(CN)c2)=CC1
InChIInChI=1S/C18H26N2O2Si/c1-23(2,3)12-11-22-18(21)20-9-7-16(8-10-20)17-6-4-5-15(13-17)14-19/h4-9,13H,10-12,14,19H2,1-3H3
InChIKeyUTIBEHRZWPXGBB-UHFFFAOYSA-N
XLogP3.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine
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[3-(aminomethyl)phenyl] propanoate
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3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
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[3-(1-methylpyrazol-4-yl)phenyl]methanamine
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ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
2-[[6-[3-[3-(aminomethyl)phenyl]phenoxy]-3,5-difluoro-2-pyridinyl]oxy]-2-phenylpropanoic acid
CID 69496207
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
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4-[3-(aminomethyl)-N-methylanilino]pyridine-2-carboxamide
CID 62970299
N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
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(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate (CID 139986719) is 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate is C[Si](C)(C)CCOC(=O)N1C=CC(c2cccc(CN)c2)=CC1.
What is the InChIKey of 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate?
The InChIKey is UTIBEHRZWPXGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2Si/c1-23(2,3)12-11-22-18(21)20-9-7-16(8-10-20)17-6-4-5-15(13-17)14-19/h4-9,13H,10-12,14,19H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate?
2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate has a molecular weight of 330.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-[3-(aminomethyl)phenyl]-2H-pyridine-1-carboxylate is sourced from PubChem (CID 139986719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).