[methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury

C13H20HgN3O — CID 144665978

IUPAC[methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury
SMILESCN([Hg])c1cncc(OCCCN2CCCC2)c1
InChIInChI=1S/C13H20N3O.Hg/c1-14-12-9-13(11-15-10-12)17-8-4-7-16-5-2-3-6-16;/h9-11H,2-8H2,1H3;/q-1;+1
InChIKeyIGAWVHFRIZBTHX-UHFFFAOYSA-N
MW434.91 g/mol
LogP1.84
Rot. Bonds6

About [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury

[methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury (PubChem CID 144665978) has the molecular formula C13H20HgN3O and a molecular weight of 434.91 g/mol. Its IUPAC name is [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury.

Molecular Properties

Compound Name[methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury
PubChem CID144665978
Molecular FormulaC13H20HgN3O
Molecular Weight434.91 g/mol
Exact Mass436.13
IUPAC Name[methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury
SMILESCN([Hg])c1cncc(OCCCN2CCCC2)c1
InChIInChI=1S/C13H20N3O.Hg/c1-14-12-9-13(11-15-10-12)17-8-4-7-16-5-2-3-6-16;/h9-11H,2-8H2,1H3;/q-1;+1
InChIKeyIGAWVHFRIZBTHX-UHFFFAOYSA-N
XLogP1.84
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N,N-dimethyl-5-(2-pyrrolidin-1-ylethoxy)pyridin-3-amine
CID 144665412
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine
CID 122182214
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 143618011
6-(3-piperidin-1-ylpropoxy)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-one
CID 141084460
2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 84599769
CID 90812906
CID 90812906
3-methoxy-5-(3-pyrrolidin-1-ylpropoxy)benzenecarbothioamide
CID 103567203
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482

Frequently Asked Questions

What is the IUPAC name of [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury?
The IUPAC name of [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury (CID 144665978) is [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury.
What is the SMILES notation for [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury?
The canonical SMILES for [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury is CN([Hg])c1cncc(OCCCN2CCCC2)c1.
What is the InChIKey of [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury?
The InChIKey is IGAWVHFRIZBTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N3O.Hg/c1-14-12-9-13(11-15-10-12)17-8-4-7-16-5-2-3-6-16;/h9-11H,2-8H2,1H3;/q-1;+1.
What are the key properties of [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury?
[methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury has a molecular weight of 434.91 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]amino]mercury is sourced from PubChem (CID 144665978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).