2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C22H30N4O3Si — CID 59824844

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2)c1
InChIInChI=1S/C22H30N4O3Si/c1-25(2)22(28)20(27)19-11-17(12-23-13-19)18-10-16-6-7-26(21(16)24-14-18)15-29-8-9-30(3,4)5/h6-7,10-14,20,27H,8-9,15H2,1-5H3
InChIKeyVTHPAHOLDJJFFO-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.53
Rot. Bonds8

About 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59824844) has the molecular formula C22H30N4O3Si and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID59824844
Molecular FormulaC22H30N4O3Si
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2)c1
InChIInChI=1S/C22H30N4O3Si/c1-25(2)22(28)20(27)19-11-17(12-23-13-19)18-10-16-6-7-26(21(16)24-14-18)15-29-8-9-30(3,4)5/h6-7,10-14,20,27H,8-9,15H2,1-5H3
InChIKeyVTHPAHOLDJJFFO-UHFFFAOYSA-N
XLogP3.53
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.53
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 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59824844) is 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is VTHPAHOLDJJFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3Si/c1-25(2)22(28)20(27)19-11-17(12-23-13-19)18-10-16-6-7-26(21(16)24-14-18)15-29-8-9-30(3,4)5/h6-7,10-14,20,27H,8-9,15H2,1-5H3.
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 426.59 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59824844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).