sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C42H59BBr2N13NaO10S3 — CID 158696627

About sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 158696627) has the molecular formula C42H59BBr2N13NaO10S3 and a molecular weight of 1195.83 g/mol. Its IUPAC name is sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 158696627
• Molecular Formula: C42H59BBr2N13NaO10S3
• Molecular Weight: 1195.83 g/mol
• Exact Mass: 1193.20
• IUPAC Name: sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cnc(N)c(N(C)S(C)(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CN(c1cc(Br)cnc1N)S(C)(=O)=O.CNc1ncc(Br)cc1N(C)S(C)(=O)=O.[H-].[Na+]
• InChI: InChI=1S/C14H17N5O3S.C13H19BN2O3.C8H12BrN3O2S.C7H10BrN3O2S.Na.H/c1-9(20)18-13-7-10(4-5-16-13)11-6-12(14(15)17-8-11)19(2)23(3,21)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-10-8-7(4-6(9)5-11-8)12(2)15(3,13)14;1-11(14(2,12)13)6-3-5(8)4-10-7(6)9;;/h4-8H,1-3H3,(H2,15,17)(H,16,18,20);6-8H,1-5H3,(H,15,16,17);4-5H,1-3H3,(H,10,11);3-4H,1-2H3,(H2,9,10);;/q;;;;+1;-1
• InChIKey: ZKCSFXWRYCIEGC-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 317.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1195.83
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 158696627) is sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(N(C)S(C)(=O)=O)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CN(c1cc(Br)cnc1N)S(C)(=O)=O.CNc1ncc(Br)cc1N(C)S(C)(=O)=O.[H-].[Na+].

What is the InChIKey of sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is ZKCSFXWRYCIEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S.C13H19BN2O3.C8H12BrN3O2S.C7H10BrN3O2S.Na.H/c1-9(20)18-13-7-10(4-5-16-13)11-6-12(14(15)17-8-11)19(2)23(3,21)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-10-8-7(4-6(9)5-11-8)12(2)15(3,13)14;1-11(14(2,12)13)6-3-5(8)4-10-7(6)9;;/h4-8H,1-3H3,(H2,15,17)(H,16,18,20);6-8H,1-5H3,(H,15,16,17);4-5H,1-3H3,(H,10,11);3-4H,1-2H3,(H2,9,10);;/q;;;;+1;-1.

What are the key properties of sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1195.83 g/mol, XLogP of 1.64, 11 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-(2-amino-5-bromo-3-pyridinyl)-N-methylmethanesulfonamide;N-[4-[6-amino-5-[methyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[5-bromo-2-(methylamino)-3-pyridinyl]-N-methylmethanesulfonamide;hydride;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158696627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).