N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride

C46H51ClN4O5Si — CID 158303084

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride
SMILESC1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccccc2-c2ccccc2)nc1.Cl.O=C(Nc1ccc(O)cn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H28N2O2Si.C18H14N2O2.C4H8O.ClH/c1-24(2,3)29(4,5)28-19-15-16-22(25-17-19)26-23(27)21-14-10-9-13-20(21)18-11-7-6-8-12-18;21-14-10-11-17(19-12-14)20-18(22)16-9-5-4-8-15(16)13-6-2-1-3-7-13;1-2-4-5-3-1;/h6-17H,1-5H3,(H,25,26,27);1-12,21H,(H,19,20,22);1-4H2;1H
InChIKeyCBIFREWGXFHCFT-UHFFFAOYSA-N
MW803.48 g/mol
LogP11.31
Rot. Bonds8

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride (PubChem CID 158303084) has the molecular formula C46H51ClN4O5Si and a molecular weight of 803.48 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride
PubChem CID158303084
Molecular FormulaC46H51ClN4O5Si
Molecular Weight803.48 g/mol
Exact Mass802.33
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride
SMILESC1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccccc2-c2ccccc2)nc1.Cl.O=C(Nc1ccc(O)cn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H28N2O2Si.C18H14N2O2.C4H8O.ClH/c1-24(2,3)29(4,5)28-19-15-16-22(25-17-19)26-23(27)21-14-10-9-13-20(21)18-11-7-6-8-12-18;21-14-10-11-17(19-12-14)20-18(22)16-9-5-4-8-15(16)13-6-2-1-3-7-13;1-2-4-5-3-1;/h6-17H,1-5H3,(H,25,26,27);1-12,21H,(H,19,20,22);1-4H2;1H
InChIKeyCBIFREWGXFHCFT-UHFFFAOYSA-N
XLogP11.31
TPSA122.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.48
LogP ≤ 511.31
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 N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride (CID 158303084) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride is C1CCOC1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)c2ccccc2-c2ccccc2)nc1.Cl.O=C(Nc1ccc(O)cn1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride?
The InChIKey is CBIFREWGXFHCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2Si.C18H14N2O2.C4H8O.ClH/c1-24(2,3)29(4,5)28-19-15-16-22(25-17-19)26-23(27)21-14-10-9-13-20(21)18-11-7-6-8-12-18;21-14-10-11-17(19-12-14)20-18(22)16-9-5-4-8-15(16)13-6-2-1-3-7-13;1-2-4-5-3-1;/h6-17H,1-5H3,(H,25,26,27);1-12,21H,(H,19,20,22);1-4H2;1H.
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride has a molecular weight of 803.48 g/mol, XLogP of 11.31, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;oxolane;hydrochloride is sourced from PubChem (CID 158303084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).