azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+)

C51H58N6O6RuS — CID 140694510

About azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+)

azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+) (PubChem CID 140694510) has the molecular formula C51H58N6O6RuS and a molecular weight of 984.20 g/mol. Its IUPAC name is azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+).

Molecular Properties

• Compound Name: azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+)
• PubChem CID: 140694510
• Molecular Formula: C51H58N6O6RuS
• Molecular Weight: 984.20 g/mol
• Exact Mass: 984.32
• IUPAC Name: azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+)
• SMILES: CCCCCCOc1ccc(/C=C/c2ccnc(C3=NC=CC(/C=C/c4ccc(OCCCCCC)cc4)C3)c2)cc1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[NH-]C=S.[NH2-].[Ru+2]
• InChI: InChI=1S/C38H46N2O2.C12H8N2O4.CH3NS.H2N.Ru/c1-3-5-7-9-27-41-35-19-15-31(16-20-35)11-13-33-23-25-39-37(29-33)38-30-34(24-26-40-38)14-12-32-17-21-36(22-18-32)42-28-10-8-6-4-2;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2-1-3;;/h11-26,29,34H,3-10,27-28,30H2,1-2H3;1-7H,(H,16,17);1H,(H2,2,3);1H2;/q;;;-1;+2/p-1/b13-11+,14-12+
• InChIKey: UQZXWLDBEFFJSN-BPSJQPAOSA-M
• XLogP: 13.29
• TPSA: 190.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.20
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+)?

The IUPAC name of azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+) (CID 140694510) is azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+).

What is the SMILES notation for azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+)?

The canonical SMILES for azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+) is CCCCCCOc1ccc(/C=C/c2ccnc(C3=NC=CC(/C=C/c4ccc(OCCCCCC)cc4)C3)c2)cc1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[NH-]C=S.[NH2-].[Ru+2].

What is the InChIKey of azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+)?

The InChIKey is UQZXWLDBEFFJSN-BPSJQPAOSA-M. The full InChI is InChI=1S/C38H46N2O2.C12H8N2O4.CH3NS.H2N.Ru/c1-3-5-7-9-27-41-35-19-15-31(16-20-35)11-13-33-23-25-39-37(29-33)38-30-34(24-26-40-38)14-12-32-17-21-36(22-18-32)42-28-10-8-6-4-2;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2-1-3;;/h11-26,29,34H,3-10,27-28,30H2,1-2H3;1-7H,(H,16,17);1H,(H2,2,3);1H2;/q;;;-1;+2/p-1/b13-11+,14-12+;;;;.

What are the key properties of azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+)?

azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+) has a molecular weight of 984.20 g/mol, XLogP of 13.29, 21 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-3,4-dihydropyridin-2-yl]pyridine;methanethioylazanide;ruthenium(2+) is sourced from PubChem (CID 140694510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).