zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide

C51H42BrClN14OZn — CID 159199199

About zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide

zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide (PubChem CID 159199199) has the molecular formula C51H42BrClN14OZn and a molecular weight of 1047.74 g/mol. Its IUPAC name is zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide.

Molecular Properties

• Compound Name: zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide
• PubChem CID: 159199199
• Molecular Formula: C51H42BrClN14OZn
• Molecular Weight: 1047.74 g/mol
• Exact Mass: 1044.18
• IUPAC Name: zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide
• SMILES: Brc1cncc2[nH]ccc12.C.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12.N#Cc1cncc2[nH]ccc12.[C-]#N.[C-]#N.[Zn+2].c1ccccc1
• InChI: InChI=1S/C27H22ClN7O.C8H5N3.C7H5BrN2.C6H6.2CN.CH4.Zn/c1-15-5-25(30)34-16(2)21(15)11-33-27(36)22-14-35(24-12-31-9-19(8-29)26(22)24)13-17-3-4-23-18(6-17)7-20(28)10-32-23;9-3-6-4-10-5-8-7(6)1-2-11-8;8-6-3-9-4-7-5(6)1-2-10-7;1-2-4-6-5-3-1;2*1-2;;/h3-7,9-10,12,14H,11,13H2,1-2H3,(H2,30,34)(H,33,36);1-2,4-5,11H;1-4,10H;1-6H;;;1H4;/q;;;;2*-1;;+2
• InChIKey: VFMDTXGTQVQEKK-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 251.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1047.74
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide?

The IUPAC name of zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide (CID 159199199) is zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide.

What is the SMILES notation for zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide?

The canonical SMILES for zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide is Brc1cncc2[nH]ccc12.C.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12.N#Cc1cncc2[nH]ccc12.[C-]#N.[C-]#N.[Zn+2].c1ccccc1.

What is the InChIKey of zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide?

The InChIKey is VFMDTXGTQVQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN7O.C8H5N3.C7H5BrN2.C6H6.2CN.CH4.Zn/c1-15-5-25(30)34-16(2)21(15)11-33-27(36)22-14-35(24-12-31-9-19(8-29)26(22)24)13-17-3-4-23-18(6-17)7-20(28)10-32-23;9-3-6-4-10-5-8-7(6)1-2-11-8;8-6-3-9-4-7-5(6)1-2-10-7;1-2-4-6-5-3-1;2*1-2;;/h3-7,9-10,12,14H,11,13H2,1-2H3,(H2,30,34)(H,33,36);1-2,4-5,11H;1-4,10H;1-6H;;;1H4;/q;;;;2*-1;;+2.

What are the key properties of zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide?

zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide has a molecular weight of 1047.74 g/mol, XLogP of 10.95, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;benzene;4-bromo-1H-pyrrolo[2,3-c]pyridine;methane;1H-pyrrolo[2,3-c]pyridine-4-carbonitrile;dicyanide is sourced from PubChem (CID 159199199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).