[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate

C45H82N4O8Si4 — CID 174048907

IUPAC[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate
SMILESCC(CCNC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)nc(CO[Si](C)(C)C(C)(C)C)c1)C(=O)ONC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C45H82N4O8Si4/c1-32(24-25-46-39(50)33-26-35(29-54-59(16,17)43(5,6)7)47-36(27-33)30-55-60(18,19)44(8,9)10)41(52)57-49-40(51)37-23-22-34(28-53-58(14,15)42(2,3)4)48-38(37)31-56-61(20,21)45(11,12)13/h22-23,26-27,32H,24-25,28-31H2,1-21H3,(H,46,50)(H,49,51)
InChIKeyFJSZXFVQVFOENP-UHFFFAOYSA-N
MW919.51 g/mol
LogP11.21
Rot. Bonds18

About [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate

[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate (PubChem CID 174048907) has the molecular formula C45H82N4O8Si4 and a molecular weight of 919.51 g/mol. Its IUPAC name is [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate.

Molecular Properties

Compound Name[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate
PubChem CID174048907
Molecular FormulaC45H82N4O8Si4
Molecular Weight919.51 g/mol
Exact Mass918.52
IUPAC Name[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate
SMILESCC(CCNC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)nc(CO[Si](C)(C)C(C)(C)C)c1)C(=O)ONC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C45H82N4O8Si4/c1-32(24-25-46-39(50)33-26-35(29-54-59(16,17)43(5,6)7)47-36(27-33)30-55-60(18,19)44(8,9)10)41(52)57-49-40(51)37-23-22-34(28-53-58(14,15)42(2,3)4)48-38(37)31-56-61(20,21)45(11,12)13/h22-23,26-27,32H,24-25,28-31H2,1-21H3,(H,46,50)(H,49,51)
InChIKeyFJSZXFVQVFOENP-UHFFFAOYSA-N
XLogP11.21
TPSA147.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.51
LogP ≤ 511.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate?
The IUPAC name of [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate (CID 174048907) is [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate.
What is the SMILES notation for [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate?
The canonical SMILES for [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate is CC(CCNC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)nc(CO[Si](C)(C)C(C)(C)C)c1)C(=O)ONC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate?
The InChIKey is FJSZXFVQVFOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H82N4O8Si4/c1-32(24-25-46-39(50)33-26-35(29-54-59(16,17)43(5,6)7)47-36(27-33)30-55-60(18,19)44(8,9)10)41(52)57-49-40(51)37-23-22-34(28-53-58(14,15)42(2,3)4)48-38(37)31-56-61(20,21)45(11,12)13/h22-23,26-27,32H,24-25,28-31H2,1-21H3,(H,46,50)(H,49,51).
What are the key properties of [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate?
[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate has a molecular weight of 919.51 g/mol, XLogP of 11.21, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]amino] 4-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]-2-methylbutanoate is sourced from PubChem (CID 174048907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).