1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium

C23H19IrN4O2- — CID 58401737

IUPAC1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium
SMILESCNCc1ccnc(-c2[c-]cc(Oc3cccnc3)cc2Oc2cccnc2)c1.[Ir]
InChIInChI=1S/C23H19N4O2.Ir/c1-24-14-17-8-11-27-22(12-17)21-7-6-18(28-19-4-2-9-25-15-19)13-23(21)29-20-5-3-10-26-16-20;/h2-6,8-13,15-16,24H,14H2,1H3;/q-1;
InChIKeyZHYAYEUGBRNRIQ-UHFFFAOYSA-N
MW575.65 g/mol
LogP4.64
Rot. Bonds7

About 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium

1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium (PubChem CID 58401737) has the molecular formula C23H19IrN4O2- and a molecular weight of 575.65 g/mol. Its IUPAC name is 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium.

Molecular Properties

Compound Name1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium
PubChem CID58401737
Molecular FormulaC23H19IrN4O2-
Molecular Weight575.65 g/mol
Exact Mass576.11
IUPAC Name1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium
SMILESCNCc1ccnc(-c2[c-]cc(Oc3cccnc3)cc2Oc2cccnc2)c1.[Ir]
InChIInChI=1S/C23H19N4O2.Ir/c1-24-14-17-8-11-27-22(12-17)21-7-6-18(28-19-4-2-9-25-15-19)13-23(21)29-20-5-3-10-26-16-20;/h2-6,8-13,15-16,24H,14H2,1H3;/q-1;
InChIKeyZHYAYEUGBRNRIQ-UHFFFAOYSA-N
XLogP4.64
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.65
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium with MolForge

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Related Compounds

3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1-methyl-1H-indole
CID 20744797
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
3-[(2S)-2-amino-3-({5-[(E)-2-(2-methoxypyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 23646987
2-(4-Methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
CID 134817809
5-((R)-Pyrrolidin-3-yloxy)-[3,4'']bipyridinyl
CID 44266566
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)indoline-1-carboxamide
CID 44298079
2-(1-methyl-1H-indol-3-yl)-2-(5-(2-(pyridin-4-yl)vinyl)pyridin-3-yloxy)ethanamine
CID 45482457
1-Phenylmethoxy-3-[[5-(2-pyridin-4-ylethenyl)-3-pyridinyl]oxy]propan-2-amine
CID 49830745
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(6-methyl-3-pyridinyl)oxymethyl]morpholine
CID 71062579
(S)-4-(2-(Indolin-1-yl)ethyl)-2-(((2-methylpyridin-3-yl)oxy)methyl)morpholine
CID 71062664
3-[(2S)-2-amino-3-methylbutoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744806

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium?
The IUPAC name of 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium (CID 58401737) is 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium.
What is the SMILES notation for 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium?
The canonical SMILES for 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium is CNCc1ccnc(-c2[c-]cc(Oc3cccnc3)cc2Oc2cccnc2)c1.[Ir].
What is the InChIKey of 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium?
The InChIKey is ZHYAYEUGBRNRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N4O2.Ir/c1-24-14-17-8-11-27-22(12-17)21-7-6-18(28-19-4-2-9-25-15-19)13-23(21)29-20-5-3-10-26-16-20;/h2-6,8-13,15-16,24H,14H2,1H3;/q-1;.
What are the key properties of 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium?
1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium has a molecular weight of 575.65 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;iridium is sourced from PubChem (CID 58401737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).