2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide

C99H90Br3N17O13S2 — CID 160796772

About 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide

2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 160796772) has the molecular formula C99H90Br3N17O13S2 and a molecular weight of 2029.76 g/mol. Its IUPAC name is 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 160796772
• Molecular Formula: C99H90Br3N17O13S2
• Molecular Weight: 2029.76 g/mol
• Exact Mass: 2025.39
• IUPAC Name: 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide
• SMILES: BrC1=CC=NC(Br)C1.CN(C)C(=O)C(C#N)c1cc(Br)ccn1.COc1ccccc1-c1c[nH]c2ncc(-c3ccnc(C(O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccnc(C(=O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccnc(C(C#N)C(=O)N(C)C)c3)cc12
• InChI: InChI=1S/C31H27N5O4S.C30H26N4O5S.C23H22N4O3.C10H10BrN3O.C5H5Br2N/c1-20-9-11-23(12-10-20)41(38,39)36-19-27(24-7-5-6-8-29(24)40-4)25-15-22(18-34-30(25)36)21-13-14-33-28(16-21)26(17-32)31(37)35(2)3;1-19-9-11-22(12-10-19)40(37,38)34-18-25(23-7-5-6-8-27(23)39-4)24-15-21(17-32-29(24)34)20-13-14-31-26(16-20)28(35)30(36)33(2)3;1-27(2)23(29)21(28)19-11-14(8-9-24-19)15-10-17-18(13-26-22(17)25-12-15)16-6-4-5-7-20(16)30-3;1-14(2)10(15)8(6-12)9-5-7(11)3-4-13-9;6-4-1-2-8-5(7)3-4/h5-16,18-19,26H,1-4H3;5-18H,1-4H3;4-13,21,28H,1-3H3,(H,25,26);3-5,8H,1-2H3;1-2,5H,3H2
• InChIKey: SCNWMEWMQUJTDZ-UHFFFAOYSA-N
• XLogP: 17.03
• TPSA: 390.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.76
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide (CID 160796772) is 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide is BrC1=CC=NC(Br)C1.CN(C)C(=O)C(C#N)c1cc(Br)ccn1.COc1ccccc1-c1c[nH]c2ncc(-c3ccnc(C(O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccnc(C(=O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccnc(C(C#N)C(=O)N(C)C)c3)cc12.

What is the InChIKey of 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is SCNWMEWMQUJTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O4S.C30H26N4O5S.C23H22N4O3.C10H10BrN3O.C5H5Br2N/c1-20-9-11-23(12-10-20)41(38,39)36-19-27(24-7-5-6-8-29(24)40-4)25-15-22(18-34-30(25)36)21-13-14-33-28(16-21)26(17-32)31(37)35(2)3;1-19-9-11-22(12-10-19)40(37,38)34-18-25(23-7-5-6-8-27(23)39-4)24-15-21(17-32-29(24)34)20-13-14-31-26(16-20)28(35)30(36)33(2)3;1-27(2)23(29)21(28)19-11-14(8-9-24-19)15-10-17-18(13-26-22(17)25-12-15)16-6-4-5-7-20(16)30-3;1-14(2)10(15)8(6-12)9-5-7(11)3-4-13-9;6-4-1-2-8-5(7)3-4/h5-16,18-19,26H,1-4H3;5-18H,1-4H3;4-13,21,28H,1-3H3,(H,25,26);3-5,8H,1-2H3;1-2,5H,3H2.

What are the key properties of 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide?

2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 2029.76 g/mol, XLogP of 17.03, 21 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-pyridinyl)-2-cyano-N,N-dimethylacetamide;2-cyano-2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2,4-dibromo-2,3-dihydropyridine;2-hydroxy-2-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethylacetamide;2-[4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 160796772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).