5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid

C83H94BBr2N7O10 — CID 158981910

About 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid

5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid (PubChem CID 158981910) has the molecular formula C83H94BBr2N7O10 and a molecular weight of 1520.32 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid.

Molecular Properties

• Compound Name: 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid
• PubChem CID: 158981910
• Molecular Formula: C83H94BBr2N7O10
• Molecular Weight: 1520.32 g/mol
• Exact Mass: 1517.55
• IUPAC Name: 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid
• SMILES: CC(C)(C)ON(CCc1ccccc1)C(=O)c1ccc(Br)cn1.CC(C)c1cccc(-c2ccc(C(=O)N(CCc3ccccc3)OC(C)(C)C)nc2)c1.CC(C)c1cccc(-c2ccc(C(=O)N(O)CCc3ccccc3)nc2)c1.CC(C)c1cccc(B(O)O)c1.O=C(O)c1ccc(Br)cn1
• InChI: InChI=1S/C27H32N2O2.C23H24N2O2.C18H21BrN2O2.C9H13BO2.C6H4BrNO2/c1-20(2)22-12-9-13-23(18-22)24-14-15-25(28-19-24)26(30)29(31-27(3,4)5)17-16-21-10-7-6-8-11-21;1-17(2)19-9-6-10-20(15-19)21-11-12-22(24-16-21)23(26)25(27)14-13-18-7-4-3-5-8-18;1-18(2,3)23-21(12-11-14-7-5-4-6-8-14)17(22)16-10-9-15(19)13-20-16;1-7(2)8-4-3-5-9(6-8)10(11)12;7-4-1-2-5(6(9)10)8-3-4/h6-15,18-20H,16-17H2,1-5H3;3-12,15-17,27H,13-14H2,1-2H3;4-10,13H,11-12H2,1-3H3;3-7,11-12H,1-2H3;1-3H,(H,9,10)
• InChIKey: JPCLDVBHKNCFLE-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 228.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.32
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid?

The IUPAC name of 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid (CID 158981910) is 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid.

What is the SMILES notation for 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid?

The canonical SMILES for 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid is CC(C)(C)ON(CCc1ccccc1)C(=O)c1ccc(Br)cn1.CC(C)c1cccc(-c2ccc(C(=O)N(CCc3ccccc3)OC(C)(C)C)nc2)c1.CC(C)c1cccc(-c2ccc(C(=O)N(O)CCc3ccccc3)nc2)c1.CC(C)c1cccc(B(O)O)c1.O=C(O)c1ccc(Br)cn1.

What is the InChIKey of 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid?

The InChIKey is JPCLDVBHKNCFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2.C23H24N2O2.C18H21BrN2O2.C9H13BO2.C6H4BrNO2/c1-20(2)22-12-9-13-23(18-22)24-14-15-25(28-19-24)26(30)29(31-27(3,4)5)17-16-21-10-7-6-8-11-21;1-17(2)19-9-6-10-20(15-19)21-11-12-22(24-16-21)23(26)25(27)14-13-18-7-4-3-5-8-18;1-18(2,3)23-21(12-11-14-7-5-4-6-8-14)17(22)16-10-9-15(19)13-20-16;1-7(2)8-4-3-5-9(6-8)10(11)12;7-4-1-2-5(6(9)10)8-3-4/h6-15,18-20H,16-17H2,1-5H3;3-12,15-17,27H,13-14H2,1-2H3;4-10,13H,11-12H2,1-3H3;3-7,11-12H,1-2H3;1-3H,(H,9,10).

What are the key properties of 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid?

5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid has a molecular weight of 1520.32 g/mol, XLogP of 17.52, 21 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;N-hydroxy-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;(3-propan-2-ylphenyl)boronic acid is sourced from PubChem (CID 158981910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).