6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C88H119BBr4N16O16 — CID 158826428

About 6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158826428) has the molecular formula C88H119BBr4N16O16 and a molecular weight of 1987.44 g/mol. Its IUPAC name is 6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;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-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 158826428
• Molecular Formula: C88H119BBr4N16O16
• Molecular Weight: 1987.44 g/mol
• Exact Mass: 1982.58
• IUPAC Name: 6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: Brc1cncc(O[C@@H]2CCCNC2)c1.CC(=O)N1CCC[C@@H](Oc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1.CC(=O)N1CCC[C@@H](Oc2cncc(Br)c2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](O)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(Br)c2)C1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.Oc1cncc(Br)c1
• InChI: InChI=1S/C21H25N5O3.C15H22BN3O3.C15H21BrN2O3.C12H15BrN2O2.C10H13BrN2O.C10H19NO3.C5H4BrNO/c1-14(27)25-6-3-5-18(13-25)29-19-9-17(10-23-12-19)16-8-15-4-2-7-26(21(22)28)20(15)24-11-16;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;1-15(2,3)21-14(19)18-6-4-5-12(10-18)20-13-7-11(16)8-17-9-13;1-9(16)15-4-2-3-11(8-15)17-12-5-10(13)6-14-7-12;11-8-4-10(7-13-5-8)14-9-2-1-3-12-6-9;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;6-4-1-5(8)3-7-2-4/h8-12,18H,2-7,13H2,1H3,(H2,22,28);8-9H,5-7H2,1-4H3,(H2,17,20);7-9,12H,4-6,10H2,1-3H3;5-7,11H,2-4,8H2,1H3;4-5,7,9,12H,1-3,6H2;8,12H,4-7H2,1-3H3;1-3,8H/t18-;;12-;11-;9-;8-;/m1.1111./s1
• InChIKey: IWMYPISJSBPBIW-TVEJLQFESA-N
• XLogP: 14.34
• TPSA: 390.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1987.44
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;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-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158826428) is 6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;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-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;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-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Brc1cncc(O[C@@H]2CCCNC2)c1.CC(=O)N1CCC[C@@H](Oc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1.CC(=O)N1CCC[C@@H](Oc2cncc(Br)c2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](O)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cncc(Br)c2)C1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.Oc1cncc(Br)c1.

What is the InChIKey of 6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is IWMYPISJSBPBIW-TVEJLQFESA-N. The full InChI is InChI=1S/C21H25N5O3.C15H22BN3O3.C15H21BrN2O3.C12H15BrN2O2.C10H13BrN2O.C10H19NO3.C5H4BrNO/c1-14(27)25-6-3-5-18(13-25)29-19-9-17(10-23-12-19)16-8-15-4-2-7-26(21(22)28)20(15)24-11-16;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;1-15(2,3)21-14(19)18-6-4-5-12(10-18)20-13-7-11(16)8-17-9-13;1-9(16)15-4-2-3-11(8-15)17-12-5-10(13)6-14-7-12;11-8-4-10(7-13-5-8)14-9-2-1-3-12-6-9;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;6-4-1-5(8)3-7-2-4/h8-12,18H,2-7,13H2,1H3,(H2,22,28);8-9H,5-7H2,1-4H3,(H2,17,20);7-9,12H,4-6,10H2,1-3H3;5-7,11H,2-4,8H2,1H3;4-5,7,9,12H,1-3,6H2;8,12H,4-7H2,1-3H3;1-3,8H/t18-;;12-;11-;9-;8-;/m1.1111./s1.

What are the key properties of 6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;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 1987.44 g/mol, XLogP of 14.34, 10 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;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 158826428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).