ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate

C17H30ClN3O3Si — CID 87184157

IUPACethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)c(N)c1NCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30ClN3O3Si/c1-7-23-16(22)12-11-21-15(18)13(19)14(12)20-9-8-10-24-25(5,6)17(2,3)4/h11H,7-10,19H2,1-6H3,(H,20,21)
InChIKeyFIBBVYQKTGPTTF-UHFFFAOYSA-N
MW387.98 g/mol
LogP4.32
Rot. Bonds8

About ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate

ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate (PubChem CID 87184157) has the molecular formula C17H30ClN3O3Si and a molecular weight of 387.98 g/mol. Its IUPAC name is ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate
PubChem CID87184157
Molecular FormulaC17H30ClN3O3Si
Molecular Weight387.98 g/mol
Exact Mass387.17
IUPAC Nameethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)c(N)c1NCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30ClN3O3Si/c1-7-23-16(22)12-11-21-15(18)13(19)14(12)20-9-8-10-24-25(5,6)17(2,3)4/h11H,7-10,19H2,1-6H3,(H,20,21)
InChIKeyFIBBVYQKTGPTTF-UHFFFAOYSA-N
XLogP4.32
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.98
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate
CID 177149312
ethyl 5-amino-3-chloro-2-(4,4,4-trifluorobutylamino)benzoate
CID 107196441
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 4-chloro-2-(1,1-difluoroethyl)pyrimidine-5-carboxylate
CID 172639270
ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840
ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
CID 135008103
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
ethyl 7,8-dichloro-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
CID 2790720
3-O-tert-butyl 1-O-methyl 2-(2-chloro-5-ethoxycarbonyl-3-fluoro-4-pyridinyl)propanedioate
CID 172607422
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate (CID 87184157) is ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)c(N)c1NCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate?
The InChIKey is FIBBVYQKTGPTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3O3Si/c1-7-23-16(22)12-11-21-15(18)13(19)14(12)20-9-8-10-24-25(5,6)17(2,3)4/h11H,7-10,19H2,1-6H3,(H,20,21).
What are the key properties of ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate?
ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate has a molecular weight of 387.98 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate is sourced from PubChem (CID 87184157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).