chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)

C52H64ClN9OOs+ — CID 21351305

IUPACchloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
SMILESCCC(CC(C)c1cc[n+](CCCCCC(=O)NCCCn2ccnc2)cc1)c1ccncc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os]
InChIInChI=1S/C28H39N5O.2C12H12N2.ClH.Os/c1-3-25(27-9-14-29-15-10-27)22-24(2)26-11-19-32(20-12-26)17-6-4-5-8-28(34)31-13-7-18-33-21-16-30-23-33;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h9-12,14-16,19-21,23-25H,3-8,13,17-18,22H2,1-2H3;2*3-8H,1-2H3;1H;/q;;;;+1
InChIKeyAACPZWJSOBZTAT-UHFFFAOYSA-N
MW1056.83 g/mol
LogP11.23
Rot. Bonds17

About chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)

chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) (PubChem CID 21351305) has the molecular formula C52H64ClN9OOs+ and a molecular weight of 1056.83 g/mol. Its IUPAC name is chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine).

Molecular Properties

Compound Namechloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
PubChem CID21351305
Molecular FormulaC52H64ClN9OOs+
Molecular Weight1056.83 g/mol
Exact Mass1057.45
IUPAC Namechloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
SMILESCCC(CC(C)c1cc[n+](CCCCCC(=O)NCCCn2ccnc2)cc1)c1ccncc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os]
InChIInChI=1S/C28H39N5O.2C12H12N2.ClH.Os/c1-3-25(27-9-14-29-15-10-27)22-24(2)26-11-19-32(20-12-26)17-6-4-5-8-28(34)31-13-7-18-33-21-16-30-23-33;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h9-12,14-16,19-21,23-25H,3-8,13,17-18,22H2,1-2H3;2*3-8H,1-2H3;1H;/q;;;;+1
InChIKeyAACPZWJSOBZTAT-UHFFFAOYSA-N
XLogP11.23
TPSA115.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.83
LogP ≤ 511.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))
CID 159882485
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
sodium;4-butan-2-ylbenzenesulfonate;6-[4-(5-pyridin-4-ylhexan-3-yl)pyridin-1-ium-1-yl]hexanoic acid
CID 157302763
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide
CID 51584924
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
3-[4-(7-phenyl-5-pyridin-4-yloctan-3-yl)pyridin-1-ium-1-yl]propane-1-sulfonic acid
CID 20823483
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827417
N-[6-[2-(1,6-dimethylpyridin-1-ium-2-yl)-3-methyl-2H-imidazole-1,3-diium-1-yl]hexyl]-6-[4-[7-[1-(6-hydroperoxyhexyl)pyridin-1-ium-4-yl]-5-pyridin-4-yldecan-3-yl]pyridin-1-ium-1-yl]hexanamide
CID 167410091

Frequently Asked Questions

What is the IUPAC name of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The IUPAC name of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) (CID 21351305) is chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine).
What is the SMILES notation for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The canonical SMILES for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) is CCC(CC(C)c1cc[n+](CCCCCC(=O)NCCCn2ccnc2)cc1)c1ccncc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os].
What is the InChIKey of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
The InChIKey is AACPZWJSOBZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O.2C12H12N2.ClH.Os/c1-3-25(27-9-14-29-15-10-27)22-24(2)26-11-19-32(20-12-26)17-6-4-5-8-28(34)31-13-7-18-33-21-16-30-23-33;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h9-12,14-16,19-21,23-25H,3-8,13,17-18,22H2,1-2H3;2*3-8H,1-2H3;1H;/q;;;;+1.
What are the key properties of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)?
chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) has a molecular weight of 1056.83 g/mol, XLogP of 11.23, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine) is sourced from PubChem (CID 21351305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).