2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate

C35H33N9O5RuS2 — CID 58250343

About 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate

2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate (PubChem CID 58250343) has the molecular formula C35H33N9O5RuS2 and a molecular weight of 824.91 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate.

Molecular Properties

• Compound Name: 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate
• PubChem CID: 58250343
• Molecular Formula: C35H33N9O5RuS2
• Molecular Weight: 824.91 g/mol
• Exact Mass: 825.11
• IUPAC Name: 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate
• SMILES: COc1ccc(N(c2cc(N(C)C)ccn2)c2cc(N(C)C)ccn2)cc1.N#C[S-].N#C[S-].O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+2]
• InChI: InChI=1S/C21H25N5O.C12H8N2O4.2CHNS.Ru/c1-24(2)17-10-12-22-20(14-17)26(16-6-8-19(27-5)9-7-16)21-15-18(25(3)4)11-13-23-21;15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;2*2-1-3;/h6-15H,1-5H3;1-8H;2*3H;/q;;;;+2/p-2
• InChIKey: GPKYZOFDAHVPAB-UHFFFAOYSA-L
• XLogP: 5.33
• TPSA: 170.69 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	824.91
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate?

The IUPAC name of 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate (CID 58250343) is 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate.

What is the SMILES notation for 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate?

The canonical SMILES for 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate is COc1ccc(N(c2cc(N(C)C)ccn2)c2cc(N(C)C)ccn2)cc1.N#C[S-].N#C[S-].O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+2].

What is the InChIKey of 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate?

The InChIKey is GPKYZOFDAHVPAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H25N5O.C12H8N2O4.2CHNS.Ru/c1-24(2)17-10-12-22-20(14-17)26(16-6-8-19(27-5)9-7-16)21-15-18(25(3)4)11-13-23-21;15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;2*2-1-3;/h6-15H,1-5H3;1-8H;2*3H;/q;;;;+2/p-2.

What are the key properties of 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate?

2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate has a molecular weight of 824.91 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(dimethylamino)-2-pyridinyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethylpyridine-2,4-diamine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);dithiocyanate is sourced from PubChem (CID 58250343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).