N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide

C21H26N4O2Si — CID 162528089

IUPACN-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cc3ncn(COCC[Si](C)(C)C)c3cn2)c1
InChIInChI=1S/C21H26N4O2Si/c1-5-21(26)24-17-8-6-7-16(11-17)18-12-19-20(13-22-18)25(14-23-19)15-27-9-10-28(2,3)4/h5-8,11-14H,1,9-10,15H2,2-4H3,(H,24,26)
InChIKeyQMZJJWIUCAUDOA-UHFFFAOYSA-N
MW394.55 g/mol
LogP4.54
Rot. Bonds8

About N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide

N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide (PubChem CID 162528089) has the molecular formula C21H26N4O2Si and a molecular weight of 394.55 g/mol. Its IUPAC name is N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide
PubChem CID162528089
Molecular FormulaC21H26N4O2Si
Molecular Weight394.55 g/mol
Exact Mass394.18
IUPAC NameN-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cc3ncn(COCC[Si](C)(C)C)c3cn2)c1
InChIInChI=1S/C21H26N4O2Si/c1-5-21(26)24-17-8-6-7-16(11-17)18-12-19-20(13-22-18)25(14-23-19)15-27-9-10-28(2,3)4/h5-8,11-14H,1,9-10,15H2,2-4H3,(H,24,26)
InChIKeyQMZJJWIUCAUDOA-UHFFFAOYSA-N
XLogP4.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 175886392
N-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90096094
N-[3-[7-[1-(2-ethoxyethyl)pyrazol-4-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyphenyl]prop-2-enamide
CID 141450300
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
5-[3-chloro-5-(prop-2-enoylamino)phenyl]-N-(1-methylpiperidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 162527738
N-[3-[7-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyphenyl]prop-2-enamide
CID 141450386
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
N-[3-(1-methyltriazol-4-yl)phenyl]prop-2-enamide
CID 139018846
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide (CID 162528089) is N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cc3ncn(COCC[Si](C)(C)C)c3cn2)c1.
What is the InChIKey of N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide?
The InChIKey is QMZJJWIUCAUDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2Si/c1-5-21(26)24-17-8-6-7-16(11-17)18-12-19-20(13-22-18)25(14-23-19)15-27-9-10-28(2,3)4/h5-8,11-14H,1,9-10,15H2,2-4H3,(H,24,26).
What are the key properties of N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide?
N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide has a molecular weight of 394.55 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162528089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).