N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide

C24H32FN3O3Si — CID 90046433

IUPACN-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
SMILESCC1(C)C(=O)N(CCO[Si](C)(C)C(C)(C)C)c2cc(NC(=O)c3ccncc3F)ccc21
InChIInChI=1S/C24H32FN3O3Si/c1-23(2,3)32(6,7)31-13-12-28-20-14-16(8-9-18(20)24(4,5)22(28)30)27-21(29)17-10-11-26-15-19(17)25/h8-11,14-15H,12-13H2,1-7H3,(H,27,29)
InChIKeyBZOSWXGLQWZBMY-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.12
Rot. Bonds6

About N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide

N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 90046433) has the molecular formula C24H32FN3O3Si and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
PubChem CID90046433
Molecular FormulaC24H32FN3O3Si
Molecular Weight457.62 g/mol
Exact Mass457.22
IUPAC NameN-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
SMILESCC1(C)C(=O)N(CCO[Si](C)(C)C(C)(C)C)c2cc(NC(=O)c3ccncc3F)ccc21
InChIInChI=1S/C24H32FN3O3Si/c1-23(2,3)32(6,7)31-13-12-28-20-14-16(8-9-18(20)24(4,5)22(28)30)27-21(29)17-10-11-26-15-19(17)25/h8-11,14-15H,12-13H2,1-7H3,(H,27,29)
InChIKeyBZOSWXGLQWZBMY-UHFFFAOYSA-N
XLogP5.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide (CID 90046433) is N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide is CC1(C)C(=O)N(CCO[Si](C)(C)C(C)(C)C)c2cc(NC(=O)c3ccncc3F)ccc21.
What is the InChIKey of N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is BZOSWXGLQWZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3Si/c1-23(2,3)32(6,7)31-13-12-28-20-14-16(8-9-18(20)24(4,5)22(28)30)27-21(29)17-10-11-26-15-19(17)25/h8-11,14-15H,12-13H2,1-7H3,(H,27,29).
What are the key properties of N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide?
N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 90046433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).