N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide

C23H27N5O2Si — CID 140838215

IUPACN-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c4ccncc4n(COCC[Si](C)(C)C)c3n2)cn1
InChIInChI=1S/C23H27N5O2Si/c1-24-23(29)20-7-5-16(13-26-20)19-8-6-18-17-9-10-25-14-21(17)28(22(18)27-19)15-30-11-12-31(2,3)4/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,29)
InChIKeyIAUMSMZTSMHUGH-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.32
Rot. Bonds7

About N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide

N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide (PubChem CID 140838215) has the molecular formula C23H27N5O2Si and a molecular weight of 433.59 g/mol. Its IUPAC name is N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
PubChem CID140838215
Molecular FormulaC23H27N5O2Si
Molecular Weight433.59 g/mol
Exact Mass433.19
IUPAC NameN-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c4ccncc4n(COCC[Si](C)(C)C)c3n2)cn1
InChIInChI=1S/C23H27N5O2Si/c1-24-23(29)20-7-5-16(13-26-20)19-8-6-18-17-9-10-25-14-21(17)28(22(18)27-19)15-30-11-12-31(2,3)4/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,29)
InChIKeyIAUMSMZTSMHUGH-UHFFFAOYSA-N
XLogP4.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide (CID 140838215) is N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c4ccncc4n(COCC[Si](C)(C)C)c3n2)cn1.
What is the InChIKey of N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?
The InChIKey is IAUMSMZTSMHUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2Si/c1-24-23(29)20-7-5-16(13-26-20)19-8-6-18-17-9-10-25-14-21(17)28(22(18)27-19)15-30-11-12-31(2,3)4/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,29).
What are the key properties of N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?
N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide has a molecular weight of 433.59 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide is sourced from PubChem (CID 140838215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).