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

C66H72N6O7Si2 — CID 161416013

IUPAC5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;N-(5-hydroxy-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(Nc1ccc(O)cn1)c1cccc(-c2ccccc2)c1.O=C(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H28N2O2Si.C18H14N2O2.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;21-16-9-10-17(19-12-16)20-18(22)15-8-4-7-14(11-15)13-5-2-1-3-6-13;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);1-12,21H,(H,19,20,22);1-9H,(H,14,15);6-8H,1-5H3,(H2,12,13)
InChIKeyVWCCVAOKVRKMBL-UHFFFAOYSA-N
MW1117.51 g/mol
LogP16.19
Rot. Bonds12

About 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;N-(5-hydroxy-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;N-(5-hydroxy-2-pyridinyl)-3-phenylbenzamide;3-phenylbenzoic acid (PubChem CID 161416013) has the molecular formula C66H72N6O7Si2 and a molecular weight of 1117.51 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;N-(5-hydroxy-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;N-(5-hydroxy-2-pyridinyl)-3-phenylbenzamide;3-phenylbenzoic acid
PubChem CID161416013
Molecular FormulaC66H72N6O7Si2
Molecular Weight1117.51 g/mol
Exact Mass1116.50
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;N-(5-hydroxy-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(Nc1ccc(O)cn1)c1cccc(-c2ccccc2)c1.O=C(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H28N2O2Si.C18H14N2O2.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;21-16-9-10-17(19-12-16)20-18(22)15-8-4-7-14(11-15)13-5-2-1-3-6-13;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);1-12,21H,(H,19,20,22);1-9H,(H,14,15);6-8H,1-5H3,(H2,12,13)
InChIKeyVWCCVAOKVRKMBL-UHFFFAOYSA-N
XLogP16.19
TPSA198.88 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001117.51
LogP ≤ 516.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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;N-(5-hydroxy-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;N-(5-hydroxy-2-pyridinyl)-3-phenylbenzamide;3-phenylbenzoic acid (CID 161416013) is 5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-3-phenylbenzamide;N-(5-hydroxy-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;N-(5-hydroxy-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;N-(5-hydroxy-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(Nc1ccc(O)cn1)c1cccc(-c2ccccc2)c1.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;N-(5-hydroxy-2-pyridinyl)-3-phenylbenzamide;3-phenylbenzoic acid?
The InChIKey is VWCCVAOKVRKMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2Si.C18H14N2O2.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;21-16-9-10-17(19-12-16)20-18(22)15-8-4-7-14(11-15)13-5-2-1-3-6-13;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);1-12,21H,(H,19,20,22);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;N-(5-hydroxy-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;N-(5-hydroxy-2-pyridinyl)-3-phenylbenzamide;3-phenylbenzoic acid has a molecular weight of 1117.51 g/mol, XLogP of 16.19, 12 rotatable bonds, 5 hydrogen bond donors, and 10 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;N-(5-hydroxy-2-pyridinyl)-3-phenylbenzamide;3-phenylbenzoic acid is sourced from PubChem (CID 161416013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).