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

C40H48BBrN8O4 — CID 159303707

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

3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159303707) has the molecular formula C40H48BBrN8O4 and a molecular weight of 795.59 g/mol. Its IUPAC name is 3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 159303707
• Molecular Formula: C40H48BBrN8O4
• Molecular Weight: 795.59 g/mol
• Exact Mass: 794.31
• IUPAC Name: 3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: Brc1cncc(C2CC2)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(C4CC4)c3)cnc21
• InChI: InChI=1S/C17H18N4O.C15H22BN3O3.C8H8BrN/c18-17(22)21-5-1-2-12-6-15(10-20-16(12)21)14-7-13(8-19-9-14)11-3-4-11;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;9-8-3-7(4-10-5-8)6-1-2-6/h6-11H,1-5H2,(H2,18,22);8-9H,5-7H2,1-4H3,(H2,17,20);3-6H,1-2H2
• InChIKey: LBQMAQKQORSGQQ-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 162.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.59
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159303707) is 3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for 3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Brc1cncc(C2CC2)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(C4CC4)c3)cnc21.

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

The InChIKey is LBQMAQKQORSGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C15H22BN3O3.C8H8BrN/c18-17(22)21-5-1-2-12-6-15(10-20-16(12)21)14-7-13(8-19-9-14)11-3-4-11;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;9-8-3-7(4-10-5-8)6-1-2-6/h6-11H,1-5H2,(H2,18,22);8-9H,5-7H2,1-4H3,(H2,17,20);3-6H,1-2H2.

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

3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 795.59 g/mol, XLogP of 6.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-cyclopropylpyridine;6-(5-cyclopropyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 159303707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).