5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid

C48H58N4O5Si2 — CID 158742426

IUPAC5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)nc1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)nc1.O=C(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H28N2O2Si.C13H10O2.C11H20N2OSi/c1-24(2,3)29(4,5)28-21-14-15-22(25-17-21)26-23(27)20-13-9-12-19(16-20)18-10-7-6-8-11-18;14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-11(2,3)15(4,5)14-9-6-7-10(12)13-8-9/h6-17H,1-5H3,(H,25,26,27);1-9H,(H,14,15);6-8H,1-5H3,(H2,12,13)
InChIKeyIMLRLJKPIPFQMI-UHFFFAOYSA-N
MW827.19 g/mol
LogP12.48
Rot. Bonds9

About 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid

5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid (PubChem CID 158742426) has the molecular formula C48H58N4O5Si2 and a molecular weight of 827.19 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid
PubChem CID158742426
Molecular FormulaC48H58N4O5Si2
Molecular Weight827.19 g/mol
Exact Mass826.39
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)nc1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)nc1.O=C(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H28N2O2Si.C13H10O2.C11H20N2OSi/c1-24(2,3)29(4,5)28-21-14-15-22(25-17-21)26-23(27)20-13-9-12-19(16-20)18-10-7-6-8-11-18;14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-11(2,3)15(4,5)14-9-6-7-10(12)13-8-9/h6-17H,1-5H3,(H,25,26,27);1-9H,(H,14,15);6-8H,1-5H3,(H2,12,13)
InChIKeyIMLRLJKPIPFQMI-UHFFFAOYSA-N
XLogP12.48
TPSA136.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.19
LogP ≤ 512.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid (CID 158742426) is 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid is CC(C)(C)[Si](C)(C)Oc1ccc(N)nc1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)nc1.O=C(O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid?
The InChIKey is IMLRLJKPIPFQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2Si.C13H10O2.C11H20N2OSi/c1-24(2,3)29(4,5)28-21-14-15-22(25-17-21)26-23(27)20-13-9-12-19(16-20)18-10-7-6-8-11-18;14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-11(2,3)15(4,5)14-9-6-7-10(12)13-8-9/h6-17H,1-5H3,(H,25,26,27);1-9H,(H,14,15);6-8H,1-5H3,(H2,12,13).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid?
5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid has a molecular weight of 827.19 g/mol, XLogP of 12.48, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;3-phenylbenzoic acid is sourced from PubChem (CID 158742426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).