N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium

C32H31N5O7RuSi — CID 139212002

IUPACN-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium
SMILESO=C(O)c1cccc(C(=O)O)n1.O[Si](O)(O)CCCNCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Ru]
InChIInChI=1S/C25H26N4O3Si.C7H5NO4.Ru/c30-33(31,32)15-5-12-26-18-19-8-10-20(11-9-19)21-16-24(22-6-1-3-13-27-22)29-25(17-21)23-7-2-4-14-28-23;9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-4,6-11,13-14,16-17,26,30-32H,5,12,15,18H2;1-3H,(H,9,10)(H,11,12);
InChIKeyQXDULWQTNBYSIR-UHFFFAOYSA-N
MW726.78 g/mol
LogP3.74
Rot. Bonds11

About N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium

N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium (PubChem CID 139212002) has the molecular formula C32H31N5O7RuSi and a molecular weight of 726.78 g/mol. Its IUPAC name is N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium.

Molecular Properties

Compound NameN-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium
PubChem CID139212002
Molecular FormulaC32H31N5O7RuSi
Molecular Weight726.78 g/mol
Exact Mass727.10
IUPAC NameN-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium
SMILESO=C(O)c1cccc(C(=O)O)n1.O[Si](O)(O)CCCNCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Ru]
InChIInChI=1S/C25H26N4O3Si.C7H5NO4.Ru/c30-33(31,32)15-5-12-26-18-19-8-10-20(11-9-19)21-16-24(22-6-1-3-13-27-22)29-25(17-21)23-7-2-4-14-28-23;9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-4,6-11,13-14,16-17,26,30-32H,5,12,15,18H2;1-3H,(H,9,10)(H,11,12);
InChIKeyQXDULWQTNBYSIR-UHFFFAOYSA-N
XLogP3.74
TPSA198.88 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.78
LogP ≤ 53.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
CID 56684304
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)
CID 56684305
Ru(II)(bda)(isoq)2NH3
CID 138455537
CID 139072392
CID 139072392
4-[(E)-2-(Pyridin-2-yl)ethenyl]pyridine-terephthalic acid (2/1)
CID 139084964
bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)
CID 139251002
4'-(2-Carboxypyridin-4-yl)-[2,2':6',2''-terpyridin]-6,6''-dicarboxylic acid
CID 176514695
6-[6-[6-[6-Carboxy-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)pyridine-2-carboxylic acid
CID 54006414
2,6-Diaminohexanoic acid;tetrakis(isoquinoline-1-carboxylic acid)
CID 66629251
(2S)-2,6-diaminohexanoic acid;tetrakis(isoquinoline-1-carboxylic acid)
CID 66629252
3-(4{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]methyl}phenyl)-2-pyridinecarboxylic acid
CID 69319355
6-[6-[[Bis[[6-(6-carboxy-2-pyridinyl)-3-pyridinyl]methyl]amino]methyl]-3-pyridinyl]pyridine-2-carboxylic acid
CID 146553795

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium?
The IUPAC name of N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium (CID 139212002) is N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium.
What is the SMILES notation for N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium?
The canonical SMILES for N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium is O=C(O)c1cccc(C(=O)O)n1.O[Si](O)(O)CCCNCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Ru].
What is the InChIKey of N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium?
The InChIKey is QXDULWQTNBYSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3Si.C7H5NO4.Ru/c30-33(31,32)15-5-12-26-18-19-8-10-20(11-9-19)21-16-24(22-6-1-3-13-27-22)29-25(17-21)23-7-2-4-14-28-23;9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-4,6-11,13-14,16-17,26,30-32H,5,12,15,18H2;1-3H,(H,9,10)(H,11,12);.
What are the key properties of N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium?
N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium has a molecular weight of 726.78 g/mol, XLogP of 3.74, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-3-trihydroxysilylpropan-1-amine;pyridine-2,6-dicarboxylic acid;ruthenium is sourced from PubChem (CID 139212002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).