5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C59H76BBr2N13O8 — CID 157234519

About 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 157234519) has the molecular formula C59H76BBr2N13O8 and a molecular weight of 1265.96 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 157234519
• Molecular Formula: C59H76BBr2N13O8
• Molecular Weight: 1265.96 g/mol
• Exact Mass: 1263.44
• IUPAC Name: 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cnc(N(C)C)c(C(=O)NC34CC(C3)C4)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CN(C)c1ncc(Br)cc1C(=O)NC12CC(C1)C2.CN(C)c1ncc(Br)cc1C(=O)O.NC12CC(C1)C2
• InChI: InChI=1S/C20H23N5O2.C13H19BN2O3.C13H16BrN3O.C8H9BrN2O2.C5H9N/c1-12(26)23-17-7-14(4-5-21-17)15-6-16(18(22-11-15)25(2)3)19(27)24-20-8-13(9-20)10-20;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-17(2)11-10(3-9(14)7-15-11)12(18)16-13-4-8(5-13)6-13;1-11(2)7-6(8(12)13)3-5(9)4-10-7;6-5-1-4(2-5)3-5/h4-7,11,13H,8-10H2,1-3H3,(H,24,27)(H,21,23,26);6-8H,1-5H3,(H,15,16,17);3,7-8H,4-6H2,1-2H3,(H,16,18);3-4H,1-2H3,(H,12,13);4H,1-3,6H2
• InChIKey: AUMBVTXDHPNJOF-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 272.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1265.96
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	6
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 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 157234519) is 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N(C)C)c(C(=O)NC34CC(C3)C4)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CN(C)c1ncc(Br)cc1C(=O)NC12CC(C1)C2.CN(C)c1ncc(Br)cc1C(=O)O.NC12CC(C1)C2.

What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is AUMBVTXDHPNJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.C13H19BN2O3.C13H16BrN3O.C8H9BrN2O2.C5H9N/c1-12(26)23-17-7-14(4-5-21-17)15-6-16(18(22-11-15)25(2)3)19(27)24-20-8-13(9-20)10-20;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-17(2)11-10(3-9(14)7-15-11)12(18)16-13-4-8(5-13)6-13;1-11(2)7-6(8(12)13)3-5(9)4-10-7;6-5-1-4(2-5)3-5/h4-7,11,13H,8-10H2,1-3H3,(H,24,27)(H,21,23,26);6-8H,1-5H3,(H,15,16,17);3,7-8H,4-6H2,1-2H3,(H,16,18);3-4H,1-2H3,(H,12,13);4H,1-3,6H2.

What are the key properties of 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1265.96 g/mol, XLogP of 8.09, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 157234519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).