tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C103H128B2Br3N21O15 — CID 160882144

About tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 160882144) has the molecular formula C103H128B2Br3N21O15 and a molecular weight of 2161.62 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;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: tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 160882144
• Molecular Formula: C103H128B2Br3N21O15
• Molecular Weight: 2161.62 g/mol
• Exact Mass: 2157.76
• IUPAC Name: tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)CC1.CC(C)(C)OC(=O)N1CC=C(c2cncc(Br)c2C#N)CC1.CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)CC1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.N#Cc1c(Br)cncc1Br
• InChI: InChI=1S/C25H30N6O3.C25H28N6O3.C16H28BNO4.C16H18BrN3O2.C15H22BN3O3.C6H2Br2N2/c2*1-25(2,3)34-24(33)30-9-6-16(7-10-30)20-14-28-15-21(19(20)12-26)18-11-17-5-4-8-31(23(27)32)22(17)29-13-18;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)22-15(21)20-6-4-11(5-7-20)13-9-19-10-14(17)12(13)8-18;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;7-5-2-10-3-6(8)4(5)1-9/h11,13-16H,4-10H2,1-3H3,(H2,27,32);6,11,13-15H,4-5,7-10H2,1-3H3,(H2,27,32);8H,9-11H2,1-7H3;4,9-10H,5-7H2,1-3H3;8-9H,5-7H2,1-4H3,(H2,17,20);2-3H
• InChIKey: SNECTAPFUQGDLA-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 479.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 7
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.62
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;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 tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 160882144) is tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;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 tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;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 tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)CC1.CC(C)(C)OC(=O)N1CC=C(c2cncc(Br)c2C#N)CC1.CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)CC1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.N#Cc1c(Br)cncc1Br.

What is the InChIKey of tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is SNECTAPFUQGDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3.C25H28N6O3.C16H28BNO4.C16H18BrN3O2.C15H22BN3O3.C6H2Br2N2/c2*1-25(2,3)34-24(33)30-9-6-16(7-10-30)20-14-28-15-21(19(20)12-26)18-11-17-5-4-8-31(23(27)32)22(17)29-13-18;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)22-15(21)20-6-4-11(5-7-20)13-9-19-10-14(17)12(13)8-18;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;7-5-2-10-3-6(8)4(5)1-9/h11,13-16H,4-10H2,1-3H3,(H2,27,32);6,11,13-15H,4-5,7-10H2,1-3H3,(H2,27,32);8H,9-11H2,1-7H3;4,9-10H,5-7H2,1-3H3;8-9H,5-7H2,1-4H3,(H2,17,20);2-3H.

What are the key properties of tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;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 2161.62 g/mol, XLogP of 18.45, 7 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(5-bromo-4-cyano-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-4-cyano-3-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3,5-dibromopyridine-4-carbonitrile;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 160882144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).