6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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

C100H108BBr2N23O18 — CID 157172453

About 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 157172453) has the molecular formula C100H108BBr2N23O18 and a molecular weight of 2090.73 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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: 157172453
• Molecular Formula: C100H108BBr2N23O18
• Molecular Weight: 2090.73 g/mol
• Exact Mass: 2087.67
• IUPAC Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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: CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc4c3C(=O)COC4)cnc21.NC(=O)N1CCCc2cc(-c3cncc4c3C(O)COC4)cnc21.NC(=O)N1CCCc2cc(-c3cncc4c3C(O)COC4)cnc21.NC(=O)N1CCCc2cc(-c3cncc4c3C(O)COC4)cnc21.NC(=O)N1CCCc2cc(Br)cnc21.O=C1COCc2cncc(Br)c21
• InChI: InChI=1S/3C17H18N4O3.C17H16N4O3.C15H22BN3O3.C9H10BrN3O.C8H6BrNO2/c4*18-17(23)21-3-1-2-10-4-11(6-20-16(10)21)13-7-19-5-12-8-24-9-14(22)15(12)13;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;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7;9-6-2-10-1-5-3-12-4-7(11)8(5)6/h3*4-7,14,22H,1-3,8-9H2,(H2,18,23);4-7H,1-3,8-9H2,(H2,18,23);8-9H,5-7H2,1-4H3,(H2,17,20);4-5H,1-3H2,(H2,11,14);1-2H,3-4H2
• InChIKey: ANQASDZJAODDHR-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 579.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 5
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2090.73
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

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;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 157172453) is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(-c3cncc4c3C(=O)COC4)cnc21.NC(=O)N1CCCc2cc(-c3cncc4c3C(O)COC4)cnc21.NC(=O)N1CCCc2cc(-c3cncc4c3C(O)COC4)cnc21.NC(=O)N1CCCc2cc(-c3cncc4c3C(O)COC4)cnc21.NC(=O)N1CCCc2cc(Br)cnc21.O=C1COCc2cncc(Br)c21.

What is the InChIKey of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 ANQASDZJAODDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H18N4O3.C17H16N4O3.C15H22BN3O3.C9H10BrN3O.C8H6BrNO2/c4*18-17(23)21-3-1-2-10-4-11(6-20-16(10)21)13-7-19-5-12-8-24-9-14(22)15(12)13;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;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7;9-6-2-10-1-5-3-12-4-7(11)8(5)6/h3*4-7,14,22H,1-3,8-9H2,(H2,18,23);4-7H,1-3,8-9H2,(H2,18,23);8-9H,5-7H2,1-4H3,(H2,17,20);4-5H,1-3H2,(H2,11,14);1-2H,3-4H2.

What are the key properties of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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?

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 2090.73 g/mol, XLogP of 10.75, 5 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromo-1H-pyrano[3,4-c]pyridin-4-one;tris(6-(4-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridin-5-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide);6-(4-oxo-1H-pyrano[3,4-c]pyridin-5-yl)-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 157172453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).