N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)

C11H9N3Y64-2 — CID 164786687

IUPACN-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)
SMILESCN(c1[c-]nccc1)c1[c-]nccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H9N3.64Y/c1-14(10-4-2-6-12-8-10)11-5-3-7-13-9-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyJVLJTELNTKQGDV-UHFFFAOYSA-N
MW5873.20 g/mol
LogP1.68
Rot. Bonds2

About N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)

N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium) (PubChem CID 164786687) has the molecular formula C11H9N3Y64-2 and a molecular weight of 5873.20 g/mol. Its IUPAC name is N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium).

Molecular Properties

Compound NameN-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)
PubChem CID164786687
Molecular FormulaC11H9N3Y64-2
Molecular Weight5873.20 g/mol
Exact Mass5873.06
IUPAC NameN-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)
SMILESCN(c1[c-]nccc1)c1[c-]nccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H9N3.64Y/c1-14(10-4-2-6-12-8-10)11-5-3-7-13-9-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyJVLJTELNTKQGDV-UHFFFAOYSA-N
XLogP1.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms78
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5005873.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium) with MolForge

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Related Compounds

Pyrido[1,2-a]pyrazine
CID 54192011
Pyrazino[2,1,6-de]quinolizine
CID 89119661
6H-pyrido[1,2-a]pyrazine
CID 53666084
4,6-dihydro-1H-pyrido[1,2-a]pyrazine
CID 54042125
N-ethyl-N-methyl-3H-pyridin-3-id-4-amine;yttrium
CID 58879190
N-ethyl-N-methyl-2H-pyridin-2-id-3-amine;yttrium
CID 58879192
N-ethyl-N-methyl-4H-pyridin-4-id-3-amine;yttrium
CID 58879194
1,4,8-Triazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene
CID 91314311
propane;4H-pyrido[1,2-a]pyrazine
CID 142433972
ethane;4H-pyrido[1,2-a]pyrazine
CID 142434105
2-(1-methyl-2H-pyrrol-5-ylidene)pyrrole
CID 154514940
N-methyl-N-phenyl-4H-pyridin-4-id-3-amine;(yttrium)
CID 155650370

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)?
The IUPAC name of N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium) (CID 164786687) is N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium).
What is the SMILES notation for N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)?
The canonical SMILES for N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium) is CN(c1[c-]nccc1)c1[c-]nccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)?
The InChIKey is JVLJTELNTKQGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3.64Y/c1-14(10-4-2-6-12-8-10)11-5-3-7-13-9-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium)?
N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium) has a molecular weight of 5873.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2H-pyridin-2-id-3-yl)-2H-pyridin-2-id-3-amine;(yttrium) is sourced from PubChem (CID 164786687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).