4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid

C46H51Br2N9O8 — CID 161456856

About 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid

4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid (PubChem CID 161456856) has the molecular formula C46H51Br2N9O8 and a molecular weight of 1017.78 g/mol. Its IUPAC name is 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid
• PubChem CID: 161456856
• Molecular Formula: C46H51Br2N9O8
• Molecular Weight: 1017.78 g/mol
• Exact Mass: 1015.22
• IUPAC Name: 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid
• SMILES: CC(C)(C)ONC(=O)c1cc(Br)ccn1.CC(C)(C)ONC(=O)c1cc(NCc2ccccc2)ccn1.O=C(NO)c1cc(NCc2ccccc2)ccn1.O=C(O)c1cc(Br)ccn1
• InChI: InChI=1S/C17H21N3O2.C13H13N3O2.C10H13BrN2O2.C6H4BrNO2/c1-17(2,3)22-20-16(21)15-11-14(9-10-18-15)19-12-13-7-5-4-6-8-13;17-13(16-18)12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10;1-10(2,3)15-13-9(14)8-6-7(11)4-5-12-8;7-4-1-2-8-5(3-4)6(9)10/h4-11H,12H2,1-3H3,(H,18,19)(H,20,21);1-8,18H,9H2,(H,14,15)(H,16,17);4-6H,1-3H3,(H,13,14);1-3H,(H,9,10)
• InChIKey: WBGPCFGLTXJUSQ-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 238.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1017.78
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'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 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid?

The IUPAC name of 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid (CID 161456856) is 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid.

What is the SMILES notation for 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid?

The canonical SMILES for 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid is CC(C)(C)ONC(=O)c1cc(Br)ccn1.CC(C)(C)ONC(=O)c1cc(NCc2ccccc2)ccn1.O=C(NO)c1cc(NCc2ccccc2)ccn1.O=C(O)c1cc(Br)ccn1.

What is the InChIKey of 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid?

The InChIKey is WBGPCFGLTXJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.C13H13N3O2.C10H13BrN2O2.C6H4BrNO2/c1-17(2,3)22-20-16(21)15-11-14(9-10-18-15)19-12-13-7-5-4-6-8-13;17-13(16-18)12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10;1-10(2,3)15-13-9(14)8-6-7(11)4-5-12-8;7-4-1-2-8-5(3-4)6(9)10/h4-11H,12H2,1-3H3,(H,18,19)(H,20,21);1-8,18H,9H2,(H,14,15)(H,16,17);4-6H,1-3H3,(H,13,14);1-3H,(H,9,10).

What are the key properties of 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid?

4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid has a molecular weight of 1017.78 g/mol, XLogP of 8.81, 12 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid is sourced from PubChem (CID 161456856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).