2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine

C49H66BrN17O8 — CID 160928721

About 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine

2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 160928721) has the molecular formula C49H66BrN17O8 and a molecular weight of 1101.08 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine
• PubChem CID: 160928721
• Molecular Formula: C49H66BrN17O8
• Molecular Weight: 1101.08 g/mol
• Exact Mass: 1099.45
• IUPAC Name: 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine
• SMILES: Brc1ccccn1.C.CCOC(=O)CCCCCCN(c1ccccn1)c1nc(C)no1.Cc1noc(N(CCCCCCC(=O)NO)c2ccccn2)n1.Cc1noc(N)n1.Cc1noc(Nc2ccccn2)n1
• InChI: InChI=1S/C17H24N4O3.C15H21N5O3.C8H8N4O.C5H4BrN.C3H5N3O.CH4/c1-3-23-16(22)11-6-4-5-9-13-21(15-10-7-8-12-18-15)17-19-14(2)20-24-17;1-12-17-15(23-19-12)20(13-8-5-6-10-16-13)11-7-3-2-4-9-14(21)18-22;1-6-10-8(13-12-6)11-7-4-2-3-5-9-7;6-5-3-1-2-4-7-5;1-2-5-3(4)7-6-2;/h7-8,10,12H,3-6,9,11,13H2,1-2H3;5-6,8,10,22H,2-4,7,9,11H2,1H3,(H,18,21);2-5H,1H3,(H,9,10,11,12);1-4H;1H3,(H2,4,5,6);1H4
• InChIKey: SSZAWIILWUJPAY-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 327.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.08
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine?

The IUPAC name of 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine (CID 160928721) is 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine.

What is the SMILES notation for 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine?

The canonical SMILES for 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine is Brc1ccccn1.C.CCOC(=O)CCCCCCN(c1ccccn1)c1nc(C)no1.Cc1noc(N(CCCCCCC(=O)NO)c2ccccn2)n1.Cc1noc(N)n1.Cc1noc(Nc2ccccn2)n1.

What is the InChIKey of 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine?

The InChIKey is SSZAWIILWUJPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.C15H21N5O3.C8H8N4O.C5H4BrN.C3H5N3O.CH4/c1-3-23-16(22)11-6-4-5-9-13-21(15-10-7-8-12-18-15)17-19-14(2)20-24-17;1-12-17-15(23-19-12)20(13-8-5-6-10-16-13)11-7-3-2-4-9-14(21)18-22;1-6-10-8(13-12-6)11-7-4-2-3-5-9-7;6-5-3-1-2-4-7-5;1-2-5-3(4)7-6-2;/h7-8,10,12H,3-6,9,11,13H2,1-2H3;5-6,8,10,22H,2-4,7,9,11H2,1H3,(H,18,21);2-5H,1H3,(H,9,10,11,12);1-4H;1H3,(H2,4,5,6);1H4.

What are the key properties of 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine?

2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 1101.08 g/mol, XLogP of 9.75, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;ethyl 7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]heptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 160928721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).