3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

C41H55Br3N8O5Si2 — CID 160756199

IUPAC3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESC=CC(=O)N(COCC[Si](C)(C)C)c1ncccc1Br.C=CC(=O)Nc1ncccc1Br.CC1C(=O)N(COCC[Si](C)(C)C)c2ncccc21.Nc1ncccc1Br
InChIInChI=1S/C14H21BrN2O2Si.C14H22N2O2Si.C8H7BrN2O.C5H5BrN2/c1-5-13(18)17(11-19-9-10-20(2,3)4)14-12(15)7-6-8-16-14;1-11-12-6-5-7-15-13(12)16(14(11)17)10-18-8-9-19(2,3)4;1-2-7(12)11-8-6(9)4-3-5-10-8;6-4-2-1-3-8-5(4)7/h5-8H,1,9-11H2,2-4H3;5-7,11H,8-10H2,1-4H3;2-5H,1H2,(H,10,11,12);1-3H,(H2,7,8)
InChIKeyRXLUQKWPTXLUHQ-UHFFFAOYSA-N
MW1035.83 g/mol
LogP9.91
Rot. Bonds14

About 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 160756199) has the molecular formula C41H55Br3N8O5Si2 and a molecular weight of 1035.83 g/mol. Its IUPAC name is 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID160756199
Molecular FormulaC41H55Br3N8O5Si2
Molecular Weight1035.83 g/mol
Exact Mass1032.14
IUPAC Name3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESC=CC(=O)N(COCC[Si](C)(C)C)c1ncccc1Br.C=CC(=O)Nc1ncccc1Br.CC1C(=O)N(COCC[Si](C)(C)C)c2ncccc21.Nc1ncccc1Br
InChIInChI=1S/C14H21BrN2O2Si.C14H22N2O2Si.C8H7BrN2O.C5H5BrN2/c1-5-13(18)17(11-19-9-10-20(2,3)4)14-12(15)7-6-8-16-14;1-11-12-6-5-7-15-13(12)16(14(11)17)10-18-8-9-19(2,3)4;1-2-7(12)11-8-6(9)4-3-5-10-8;6-4-2-1-3-8-5(4)7/h5-8H,1,9-11H2,2-4H3;5-7,11H,8-10H2,1-4H3;2-5H,1H2,(H,10,11,12);1-3H,(H2,7,8)
InChIKeyRXLUQKWPTXLUHQ-UHFFFAOYSA-N
XLogP9.91
TPSA165.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.83
LogP ≤ 59.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 160416450
3,3-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(pyrrolo[2,3-b]pyridin-1-ylmethoxy)ethyl]silane;1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 161234373
(3S)-3-[(1R)-1-(6-bromo-3-pyridinyl)ethyl]-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one;(3R)-3-[(1R)-1-(6-bromo-3-pyridinyl)ethyl]-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one
CID 161517240
1-(4-Aminophenyl)-5'-bromo-1'-(2-trimethylsilylethoxymethyl)spiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 173624526

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (CID 160756199) is 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is C=CC(=O)N(COCC[Si](C)(C)C)c1ncccc1Br.C=CC(=O)Nc1ncccc1Br.CC1C(=O)N(COCC[Si](C)(C)C)c2ncccc21.Nc1ncccc1Br.
What is the InChIKey of 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is RXLUQKWPTXLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2Si.C14H22N2O2Si.C8H7BrN2O.C5H5BrN2/c1-5-13(18)17(11-19-9-10-20(2,3)4)14-12(15)7-6-8-16-14;1-11-12-6-5-7-15-13(12)16(14(11)17)10-18-8-9-19(2,3)4;1-2-7(12)11-8-6(9)4-3-5-10-8;6-4-2-1-3-8-5(4)7/h5-8H,1,9-11H2,2-4H3;5-7,11H,8-10H2,1-4H3;2-5H,1H2,(H,10,11,12);1-3H,(H2,7,8).
What are the key properties of 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 1035.83 g/mol, XLogP of 9.91, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridin-2-amine;N-(3-bromo-2-pyridinyl)prop-2-enamide;N-(3-bromo-2-pyridinyl)-N-(2-trimethylsilylethoxymethyl)prop-2-enamide;3-methyl-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 160756199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).