2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate

C48H57N7O4RuS2 — CID 58250308

IUPAC2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate
SMILESCCCCCCCCCc1ccnc(N(c2ccccc2)c2cc(CCCCCCCCC)ccn2)c1.N#C[S-].N#C[S-].O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+2]
InChIInChI=1S/C34H49N3.C12H8N2O4.2CHNS.Ru/c1-3-5-7-9-11-13-16-20-30-24-26-35-33(28-30)37(32-22-18-15-19-23-32)34-29-31(25-27-36-34)21-17-14-12-10-8-6-4-2;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*2-1-3;/h15,18-19,22-29H,3-14,16-17,20-21H2,1-2H3;1-7H,(H,16,17);2*3H;/q;;;;+2/p-2
InChIKeyTYCIPQZCTYXLTD-UHFFFAOYSA-L
MW961.23 g/mol
LogP11.94
Rot. Bonds23

About 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate

2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate (PubChem CID 58250308) has the molecular formula C48H57N7O4RuS2 and a molecular weight of 961.23 g/mol. Its IUPAC name is 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate.

Molecular Properties

Compound Name2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate
PubChem CID58250308
Molecular FormulaC48H57N7O4RuS2
Molecular Weight961.23 g/mol
Exact Mass961.30
IUPAC Name2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate
SMILESCCCCCCCCCc1ccnc(N(c2ccccc2)c2cc(CCCCCCCCC)ccn2)c1.N#C[S-].N#C[S-].O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+2]
InChIInChI=1S/C34H49N3.C12H8N2O4.2CHNS.Ru/c1-3-5-7-9-11-13-16-20-30-24-26-35-33(28-30)37(32-22-18-15-19-23-32)34-29-31(25-27-36-34)21-17-14-12-10-8-6-4-2;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*2-1-3;/h15,18-19,22-29H,3-14,16-17,20-21H2,1-2H3;1-7H,(H,16,17);2*3H;/q;;;;+2/p-2
InChIKeyTYCIPQZCTYXLTD-UHFFFAOYSA-L
XLogP11.94
TPSA165.98 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.23
LogP ≤ 511.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[7-[1,3-bis(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-2-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 156401613
3-[7-[1,3-Bis(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-2-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 156401614
(3S)-3-[7-[1,3-bis(1,8-naphthyridin-2-yl)propan-2-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 156401626
3-[7-[1,3-Bis(1,8-naphthyridin-2-yl)propan-2-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 156401627
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);isothiocyanate;thiocyanate
CID 20606336
Sodium;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;2-[4-(oxomethoxy)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 57773960
7-(diethylamino)-3-[(E)-2-[2-[4-[(E)-2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]chromen-2-one;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 58130112
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);isothiocyanate;thiocyanate
CID 58130984
2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 58174941
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 58174948
2-(4-Formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 58174960
Bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(2+);diisothiocyanate
CID 58219820

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate?
The IUPAC name of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate (CID 58250308) is 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate.
What is the SMILES notation for 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate?
The canonical SMILES for 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate is CCCCCCCCCc1ccnc(N(c2ccccc2)c2cc(CCCCCCCCC)ccn2)c1.N#C[S-].N#C[S-].O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+2].
What is the InChIKey of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate?
The InChIKey is TYCIPQZCTYXLTD-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H49N3.C12H8N2O4.2CHNS.Ru/c1-3-5-7-9-11-13-16-20-30-24-26-35-33(28-30)37(32-22-18-15-19-23-32)34-29-31(25-27-36-34)21-17-14-12-10-8-6-4-2;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*2-1-3;/h15,18-19,22-29H,3-14,16-17,20-21H2,1-2H3;1-7H,(H,16,17);2*3H;/q;;;;+2/p-2.
What are the key properties of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate?
2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate has a molecular weight of 961.23 g/mol, XLogP of 11.94, 23 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-nonyl-N-(4-nonyl-2-pyridinyl)-N-phenylpyridin-2-amine;ruthenium(2+);dithiocyanate is sourced from PubChem (CID 58250308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).