2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)

C25H30N5Ru-3 — CID 50909716

IUPAC2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)
SMILESC1=CC(C2CCCC[N-]2)[N-]CC1.C1=C[N-]C(C2=CC=CC(C3C=CC=C[N-]3)[N-]2)C=C1.[Ru+2]
InChIInChI=1S/C15H14N3.C10H16N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-14H;1,5,9-10H,2-4,6-8H2;/q-3;-2;+2
InChIKeySGMGXSBWDLFADS-UHFFFAOYSA-N
MW501.62 g/mol
LogP6.45
Rot. Bonds3

About 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)

2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+) (PubChem CID 50909716) has the molecular formula C25H30N5Ru-3 and a molecular weight of 501.62 g/mol. Its IUPAC name is 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+).

Molecular Properties

Compound Name2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)
PubChem CID50909716
Molecular FormulaC25H30N5Ru-3
Molecular Weight501.62 g/mol
Exact Mass502.16
IUPAC Name2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)
SMILESC1=CC(C2CCCC[N-]2)[N-]CC1.C1=C[N-]C(C2=CC=CC(C3C=CC=C[N-]3)[N-]2)C=C1.[Ru+2]
InChIInChI=1S/C15H14N3.C10H16N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-14H;1,5,9-10H,2-4,6-8H2;/q-3;-2;+2
InChIKeySGMGXSBWDLFADS-UHFFFAOYSA-N
XLogP6.45
TPSA70.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+) with MolForge

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Related Compounds

dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium
CID 6395458
bis(1-cyclohexyl-4,4,4-trifluorobutane-1,3-diol);manganese(2+);6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide
CID 5259938
dibromomanganese;2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide;hydrate
CID 4866679
CID 5255945
CID 5255945
6-piperidin-1-id-2-yl-2H-pyridin-1-ide;tetrabromorhenium
CID 5251027
copper;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);sulfuric acid
CID 54610798
acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)
CID 5245924
5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium
CID 6333768
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CID 14358727
(1Z)-3-cyclopenta-1,3-dien-1-ylcyclodecene
CID 163639530
cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate
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CID 142638500

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)?
The IUPAC name of 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+) (CID 50909716) is 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+).
What is the SMILES notation for 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)?
The canonical SMILES for 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+) is C1=CC(C2CCCC[N-]2)[N-]CC1.C1=C[N-]C(C2=CC=CC(C3C=CC=C[N-]3)[N-]2)C=C1.[Ru+2].
What is the InChIKey of 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)?
The InChIKey is SGMGXSBWDLFADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3.C10H16N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-14H;1,5,9-10H,2-4,6-8H2;/q-3;-2;+2.
What are the key properties of 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)?
2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+) has a molecular weight of 501.62 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+) is sourced from PubChem (CID 50909716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).