6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C57H76B3Br2N13O11 — CID 159547756

About 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159547756) has the molecular formula C57H76B3Br2N13O11 and a molecular weight of 1311.56 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159547756
• Molecular Formula: C57H76B3Br2N13O11
• Molecular Weight: 1311.56 g/mol
• Exact Mass: 1309.44
• IUPAC Name: 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(Br)cnc21.NC(=O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.NC(=O)c1cncc(Br)c1
• InChI: InChI=1S/C15H22BN3O3.C15H15N5O2.C12H24B2O4.C9H10BrN3O.C6H5BrN2O/c1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;16-13(21)12-5-10(6-18-7-12)11-4-9-2-1-3-20(15(17)22)14(9)19-8-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7;7-5-1-4(6(8)10)2-9-3-5/h8-9H,5-7H2,1-4H3,(H2,17,20);4-8H,1-3H2,(H2,16,21)(H2,17,22);1-8H3;4-5H,1-3H2,(H2,11,14);1-3H,(H2,8,10)
• InChIKey: MEZYESNDWBJSRB-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 345.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.56
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159547756) is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

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

The canonical SMILES for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.NC(=O)N1CCCc2cc(Br)cnc21.NC(=O)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.NC(=O)c1cncc(Br)c1.

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

The InChIKey is MEZYESNDWBJSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BN3O3.C15H15N5O2.C12H24B2O4.C9H10BrN3O.C6H5BrN2O/c1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;16-13(21)12-5-10(6-18-7-12)11-4-9-2-1-3-20(15(17)22)14(9)19-8-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7;7-5-1-4(6(8)10)2-9-3-5/h8-9H,5-7H2,1-4H3,(H2,17,20);4-8H,1-3H2,(H2,16,21)(H2,17,22);1-8H3;4-5H,1-3H2,(H2,11,14);1-3H,(H2,8,10).

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

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1311.56 g/mol, XLogP of 7.15, 5 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridine-3-carboxamide;6-(5-carbamoyl-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;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159547756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).