2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine

C54H60BrN17O4 — CID 159335535

About 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine

2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 159335535) has the molecular formula C54H60BrN17O4 and a molecular weight of 1091.09 g/mol. Its IUPAC name is 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine
• PubChem CID: 159335535
• Molecular Formula: C54H60BrN17O4
• Molecular Weight: 1091.09 g/mol
• Exact Mass: 1089.42
• IUPAC Name: 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine
• SMILES: Brc1ccccn1.C.COC(=O)c1ccc(CN(c2ccccn2)c2ccn(C)n2)cc1.Cn1ccc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccccn2)n1
• InChI: InChI=1S/C18H18N4O2.C17H17N5O2.C9H10N4.C5H4BrN.C4H7N3.CH4/c1-21-12-10-17(20-21)22(16-5-3-4-11-19-16)13-14-6-8-15(9-7-14)18(23)24-2;1-21-11-9-16(19-21)22(15-4-2-3-10-18-15)12-13-5-7-14(8-6-13)17(23)20-24;1-13-7-5-9(12-13)11-8-4-2-3-6-10-8;6-5-3-1-2-4-7-5;1-7-3-2-4(5)6-7;/h3-12H,13H2,1-2H3;2-11,24H,12H2,1H3,(H,20,23);2-7H,1H3,(H,10,11,12);1-4H;2-3H,1H3,(H2,5,6);1H4
• InChIKey: LFMFRSHJMHYNRT-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 243.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.09
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine?

The IUPAC name of 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine (CID 159335535) is 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine?

The canonical SMILES for 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine is Brc1ccccn1.C.COC(=O)c1ccc(CN(c2ccccn2)c2ccn(C)n2)cc1.Cn1ccc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccccn2)n1.

What is the InChIKey of 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine?

The InChIKey is LFMFRSHJMHYNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C17H17N5O2.C9H10N4.C5H4BrN.C4H7N3.CH4/c1-21-12-10-17(20-21)22(16-5-3-4-11-19-16)13-14-6-8-15(9-7-14)18(23)24-2;1-21-11-9-16(19-21)22(15-4-2-3-10-18-15)12-13-5-7-14(8-6-13)17(23)20-24;1-13-7-5-9(12-13)11-8-4-2-3-6-10-8;6-5-3-1-2-4-7-5;1-7-3-2-4(5)6-7;/h3-12H,13H2,1-2H3;2-11,24H,12H2,1H3,(H,20,23);2-7H,1H3,(H,10,11,12);1-4H;2-3H,1H3,(H2,5,6);1H4.

What are the key properties of 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine?

2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 1091.09 g/mol, XLogP of 9.25, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;N-hydroxy-4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 159335535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).