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

C44H32Cl2N14OZn — CID 158587465

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

zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;dicyanide (PubChem CID 158587465) has the molecular formula C44H32Cl2N14OZn and a molecular weight of 909.13 g/mol. Its IUPAC name is zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-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[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;dicyanide
• PubChem CID: 158587465
• Molecular Formula: C44H32Cl2N14OZn
• Molecular Weight: 909.13 g/mol
• Exact Mass: 906.16
• IUPAC Name: zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;dicyanide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(C#N)c12.Clc1nccc2[nH]ccc12.N#Cc1nccc2[nH]ccc12.[C-]#N.[C-]#N.[Zn+2]
• InChI: InChI=1S/C27H22ClN7O.C8H5N3.C7H5ClN2.2CN.Zn/c1-15-7-25(30)34-16(2)20(15)12-33-27(36)21-14-35(24-5-6-31-23(10-29)26(21)24)13-17-3-4-22-18(8-17)9-19(28)11-32-22;9-5-8-6-1-3-10-7(6)2-4-11-8;8-7-5-1-3-9-6(5)2-4-10-7;2*1-2;/h3-9,11,14H,12-13H2,1-2H3,(H2,30,34)(H,33,36);1-4,10H;1-4,9H;;;/q;;;2*-1;+2
• InChIKey: OKQPQLDSMUXMAH-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 251.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.13
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-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[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;dicyanide (CID 158587465) is zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-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[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-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[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;dicyanide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(C#N)c12.Clc1nccc2[nH]ccc12.N#Cc1nccc2[nH]ccc12.[C-]#N.[C-]#N.[Zn+2].

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

The InChIKey is OKQPQLDSMUXMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN7O.C8H5N3.C7H5ClN2.2CN.Zn/c1-15-7-25(30)34-16(2)20(15)12-33-27(36)21-14-35(24-5-6-31-23(10-29)26(21)24)13-17-3-4-22-18(8-17)9-19(28)11-32-22;9-5-8-6-1-3-10-7(6)2-4-11-8;8-7-5-1-3-9-6(5)2-4-10-7;2*1-2;/h3-9,11,14H,12-13H2,1-2H3,(H2,30,34)(H,33,36);1-4,10H;1-4,9H;;;/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[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;dicyanide?

zinc;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;dicyanide has a molecular weight of 909.13 g/mol, XLogP of 8.52, 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[3,2-c]pyridine-3-carboxamide;4-chloro-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine-4-carbonitrile;dicyanide is sourced from PubChem (CID 158587465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).