N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide

C17H28N4O4Si — CID 122395103

IUPACN-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide
SMILESCC1CN2CC(C)O[Si](CCCNC(=O)c3cnccn3)(O1)OC(C)C2
InChIInChI=1S/C17H28N4O4Si/c1-13-10-21-11-14(2)24-26(23-13,25-15(3)12-21)8-4-5-20-17(22)16-9-18-6-7-19-16/h6-7,9,13-15H,4-5,8,10-12H2,1-3H3,(H,20,22)
InChIKeyMOJWRDOTDXOYBX-UHFFFAOYSA-N
MW380.52 g/mol
LogP1.08
Rot. Bonds5

About N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide

N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide (PubChem CID 122395103) has the molecular formula C17H28N4O4Si and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide
PubChem CID122395103
Molecular FormulaC17H28N4O4Si
Molecular Weight380.52 g/mol
Exact Mass380.19
IUPAC NameN-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide
SMILESCC1CN2CC(C)O[Si](CCCNC(=O)c3cnccn3)(O1)OC(C)C2
InChIInChI=1S/C17H28N4O4Si/c1-13-10-21-11-14(2)24-26(23-13,25-15(3)12-21)8-4-5-20-17(22)16-9-18-6-7-19-16/h6-7,9,13-15H,4-5,8,10-12H2,1-3H3,(H,20,22)
InChIKeyMOJWRDOTDXOYBX-UHFFFAOYSA-N
XLogP1.08
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide (CID 122395103) is N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide is CC1CN2CC(C)O[Si](CCCNC(=O)c3cnccn3)(O1)OC(C)C2.
What is the InChIKey of N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is MOJWRDOTDXOYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4Si/c1-13-10-21-11-14(2)24-26(23-13,25-15(3)12-21)8-4-5-20-17(22)16-9-18-6-7-19-16/h6-7,9,13-15H,4-5,8,10-12H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide?
N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122395103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).