5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C42H52BBr2N11O10S3 — CID 160888912

About 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 160888912) has the molecular formula C42H52BBr2N11O10S3 and a molecular weight of 1137.77 g/mol. Its IUPAC name is 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 160888912
• Molecular Formula: C42H52BBr2N11O10S3
• Molecular Weight: 1137.77 g/mol
• Exact Mass: 1135.15
• IUPAC Name: 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cnc3c(c2)S(=O)(=O)N(C)CN3)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCS(=O)(=O)c1cc(Br)cnc1N.CN1CCc2ncc(Br)cc2S1(=O)=O
• InChI: InChI=1S/C14H15N5O3S.C13H19BN2O3.C8H9BrN2O2S.C7H9BrN2O2S/c1-9(20)18-13-6-10(3-4-15-13)11-5-12-14(16-7-11)17-8-19(2)23(12,21)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-11-3-2-7-8(14(11,12)13)4-6(9)5-10-7;1-2-13(11,12)6-3-5(8)4-10-7(6)9/h3-7H,8H2,1-2H3,(H,16,17)(H,15,18,20);6-8H,1-5H3,(H,15,16,17);4-5H,2-3H2,1H3;3-4H,2H2,1H3,(H2,9,10)
• InChIKey: SNZRDILLQLHJPP-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 288.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.77
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 160888912) is 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3c(c2)S(=O)(=O)N(C)CN3)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCS(=O)(=O)c1cc(Br)cnc1N.CN1CCc2ncc(Br)cc2S1(=O)=O.

What is the InChIKey of 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is SNZRDILLQLHJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S.C13H19BN2O3.C8H9BrN2O2S.C7H9BrN2O2S/c1-9(20)18-13-6-10(3-4-15-13)11-5-12-14(16-7-11)17-8-19(2)23(12,21)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-11-3-2-7-8(14(11,12)13)4-6(9)5-10-7;1-2-13(11,12)6-3-5(8)4-10-7(6)9/h3-7H,8H2,1-2H3,(H,16,17)(H,15,18,20);6-8H,1-5H3,(H,15,16,17);4-5H,2-3H2,1H3;3-4H,2H2,1H3,(H2,9,10).

What are the key properties of 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1137.77 g/mol, XLogP of 4.69, 6 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-ethylsulfonylpyridin-2-amine;7-bromo-2-methyl-3,4-dihydropyrido[2,3-e]thiazine 1,1-dioxide;N-[4-(2-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-e][1,2,4]thiadiazin-7-yl)-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 160888912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).