6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C44H52BBrN8O6 — CID 158841446

About 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158841446) has the molecular formula C44H52BBrN8O6 and a molecular weight of 879.67 g/mol. Its IUPAC name is 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158841446
• Molecular Formula: C44H52BBrN8O6
• Molecular Weight: 879.67 g/mol
• Exact Mass: 878.33
• IUPAC Name: 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(C2=CCOCC2)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(Br)c3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(C4=CCOCC4)c3)cnc21
• InChI: InChI=1S/C19H20N4O2.C14H13BrN4O.C11H19BO3/c20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-25-7-4-13;15-12-5-11(6-17-8-12)10-4-9-2-1-3-19(14(16)20)13(9)18-7-10;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h3,8-12H,1-2,4-7H2,(H2,20,24);4-8H,1-3H2,(H2,16,20);5H,6-8H2,1-4H3
• InChIKey: IYHILUKSDGUJPA-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 181.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.67
LogP ≤ 5	7.48
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-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158841446) is 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCOCC2)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(Br)c3)cnc21.NC(=O)N1CCCc2cc(-c3cncc(C4=CCOCC4)c3)cnc21.

What is the InChIKey of 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is IYHILUKSDGUJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.C14H13BrN4O.C11H19BO3/c20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-25-7-4-13;15-12-5-11(6-17-8-12)10-4-9-2-1-3-19(14(16)20)13(9)18-7-10;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h3,8-12H,1-2,4-7H2,(H2,20,24);4-8H,1-3H2,(H2,16,20);5H,6-8H2,1-4H3.

What are the key properties of 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 879.67 g/mol, XLogP of 7.48, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158841446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).