3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile

C11H16N4O — CID 83030587

IUPAC3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
SMILESCOCCNCCNc1cnccc1C#N
InChIInChI=1S/C11H16N4O/c1-16-7-6-13-4-5-15-11-9-14-3-2-10(11)8-12/h2-3,9,13,15H,4-7H2,1H3
InChIKeyPZQOEGHFIZLZAG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.60
Rot. Bonds7

About 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile

3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile (PubChem CID 83030587) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
PubChem CID83030587
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
SMILESCOCCNCCNc1cnccc1C#N
InChIInChI=1S/C11H16N4O/c1-16-7-6-13-4-5-15-11-9-14-3-2-10(11)8-12/h2-3,9,13,15H,4-7H2,1H3
InChIKeyPZQOEGHFIZLZAG-UHFFFAOYSA-N
XLogP0.60
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile (CID 83030587) is 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile is COCCNCCNc1cnccc1C#N.
What is the InChIKey of 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile?
The InChIKey is PZQOEGHFIZLZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-16-7-6-13-4-5-15-11-9-14-3-2-10(11)8-12/h2-3,9,13,15H,4-7H2,1H3.
What are the key properties of 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile?
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83030587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).