2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine

C53H74BrN17O4 — CID 158408699

About 2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine

2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 158408699) has the molecular formula C53H74BrN17O4 and a molecular weight of 1093.19 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine
• PubChem CID: 158408699
• Molecular Formula: C53H74BrN17O4
• Molecular Weight: 1093.19 g/mol
• Exact Mass: 1091.53
• IUPAC Name: 2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine
• SMILES: Brc1ccccn1.C.CCOC(=O)CCCCCCN(c1ccccn1)c1ccn(C)n1.Cn1ccc(N(CCCCCCC(=O)NO)c2ccccn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccccn2)n1
• InChI: InChI=1S/C18H26N4O2.C16H23N5O2.C9H10N4.C5H4BrN.C4H7N3.CH4/c1-3-24-18(23)11-6-4-5-9-14-22(16-10-7-8-13-19-16)17-12-15-21(2)20-17;1-20-13-10-15(18-20)21(14-8-5-6-11-17-14)12-7-3-2-4-9-16(22)19-23;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;/h7-8,10,12-13,15H,3-6,9,11,14H2,1-2H3;5-6,8,10-11,13,23H,2-4,7,9,12H2,1H3,(H,19,22);2-7H,1H3,(H,10,11,12);1-4H;2-3H,1H3,(H2,5,6);1H4
• InChIKey: GZAIYOXHSSAZNH-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 243.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.19
LogP ≤ 5	9.92
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': '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-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine?

The IUPAC name of 2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine (CID 158408699) is 2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine.

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

The canonical SMILES for 2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine is Brc1ccccn1.C.CCOC(=O)CCCCCCN(c1ccccn1)c1ccn(C)n1.Cn1ccc(N(CCCCCCC(=O)NO)c2ccccn2)n1.Cn1ccc(N)n1.Cn1ccc(Nc2ccccn2)n1.

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

The InChIKey is GZAIYOXHSSAZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.C16H23N5O2.C9H10N4.C5H4BrN.C4H7N3.CH4/c1-3-24-18(23)11-6-4-5-9-14-22(16-10-7-8-13-19-16)17-12-15-21(2)20-17;1-20-13-10-15(18-20)21(14-8-5-6-11-17-14)12-7-3-2-4-9-16(22)19-23;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;/h7-8,10,12-13,15H,3-6,9,11,14H2,1-2H3;5-6,8,10-11,13,23H,2-4,7,9,12H2,1H3,(H,19,22);2-7H,1H3,(H,10,11,12);1-4H;2-3H,1H3,(H2,5,6);1H4.

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

2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 1093.19 g/mol, XLogP of 9.92, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;ethyl 7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylpyrazol-3-amine;N-(1-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 158408699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).