4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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

C51H66BBr3N12O7 — CID 157370656

About 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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

4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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 157370656) has the molecular formula C51H66BBr3N12O7 and a molecular weight of 1209.69 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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: 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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: 157370656
• Molecular Formula: C51H66BBr3N12O7
• Molecular Weight: 1209.69 g/mol
• Exact Mass: 1206.28
• IUPAC Name: 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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(Br)c1.Brc1cncc(N2CCOCC2)c1.C1COCCN1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(N4CCOCC4)c3)cnc21
• InChI: InChI=1S/C18H21N5O2.C15H22BN3O3.C9H11BrN2O.C5H3Br2N.C4H9NO/c19-18(24)23-3-1-2-13-8-14(11-21-17(13)23)15-9-16(12-20-10-15)22-4-6-25-7-5-22;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;10-8-5-9(7-11-6-8)12-1-3-13-4-2-12;6-4-1-5(7)3-8-2-4;1-3-6-4-2-5-1/h8-12H,1-7H2,(H2,19,24);8-9H,5-7H2,1-4H3,(H2,17,20);5-7H,1-4H2;1-3H;5H,1-4H2
• InChIKey: BJSLGKALWCUWPT-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 221.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1209.69
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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 157370656) is 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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(Br)c1.Brc1cncc(N2CCOCC2)c1.C1COCCN1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc(N4CCOCC4)c3)cnc21.

What is the InChIKey of 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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 BJSLGKALWCUWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.C15H22BN3O3.C9H11BrN2O.C5H3Br2N.C4H9NO/c19-18(24)23-3-1-2-13-8-14(11-21-17(13)23)15-9-16(12-20-10-15)22-4-6-25-7-5-22;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;10-8-5-9(7-11-6-8)12-1-3-13-4-2-12;6-4-1-5(7)3-8-2-4;1-3-6-4-2-5-1/h8-12H,1-7H2,(H2,19,24);8-9H,5-7H2,1-4H3,(H2,17,20);5-7H,1-4H2;1-3H;5H,1-4H2.

What are the key properties of 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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?

4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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 1209.69 g/mol, XLogP of 6.92, 4 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-3-pyridinyl)morpholine;3,5-dibromopyridine;morpholine;6-(5-morpholin-4-yl-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 157370656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).