6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C36H44BBrN8O6 — CID 159016027

About 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 159016027) has the molecular formula C36H44BBrN8O6 and a molecular weight of 775.51 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 159016027
• Molecular Formula: C36H44BBrN8O6
• Molecular Weight: 775.51 g/mol
• Exact Mass: 774.27
• IUPAC Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: COc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.COc1cncc(B2OC(C)(C)C(C)(C)O2)c1.NC(=O)N1CCCc2cc(Br)cnc21
• InChI: InChI=1S/C15H16N4O2.C12H18BNO3.C9H10BrN3O/c1-21-13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11;1-11(2)12(3,4)17-13(16-11)9-6-10(15-5)8-14-7-9;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h5-9H,2-4H2,1H3,(H2,16,20);6-8H,1-5H3;4-5H,1-3H2,(H2,11,14)
• InChIKey: JTCFSMOPXFEAJG-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 181.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.51
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 159016027) is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is COc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.COc1cncc(B2OC(C)(C)C(C)(C)O2)c1.NC(=O)N1CCCc2cc(Br)cnc21.

What is the InChIKey of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is JTCFSMOPXFEAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2.C12H18BNO3.C9H10BrN3O/c1-21-13-6-12(7-17-9-13)11-5-10-3-2-4-19(15(16)20)14(10)18-8-11;1-11(2)12(3,4)17-13(16-11)9-6-10(15-5)8-14-7-9;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h5-9H,2-4H2,1H3,(H2,16,20);6-8H,1-5H3;4-5H,1-3H2,(H2,11,14).

What are the key properties of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 775.51 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 159016027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).