3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile

C12H17N3O2 — CID 113337626

IUPAC3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
SMILESCOCCOCCCNc1cnccc1C#N
InChIInChI=1S/C12H17N3O2/c1-16-7-8-17-6-2-4-15-12-10-14-5-3-11(12)9-13/h3,5,10,15H,2,4,6-8H2,1H3
InChIKeyJJQXISGFEQSKMT-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.42
Rot. Bonds8

About 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile

3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile (PubChem CID 113337626) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
PubChem CID113337626
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
SMILESCOCCOCCCNc1cnccc1C#N
InChIInChI=1S/C12H17N3O2/c1-16-7-8-17-6-2-4-15-12-10-14-5-3-11(12)9-13/h3,5,10,15H,2,4,6-8H2,1H3
InChIKeyJJQXISGFEQSKMT-UHFFFAOYSA-N
XLogP1.42
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654
3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 115883851
N-(3-methoxypropyl)-4-nitropyridin-3-amine
CID 123201064
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile
CID 65336445
N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 107037714
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile (CID 113337626) is 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile is COCCOCCCNc1cnccc1C#N.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile?
The InChIKey is JJQXISGFEQSKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-16-7-8-17-6-2-4-15-12-10-14-5-3-11(12)9-13/h3,5,10,15H,2,4,6-8H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile?
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 113337626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).