4-(2-methoxyethylamino)pyridine-2-carbonitrile

C9H11N3O — CID 62924815

IUPAC4-(2-methoxyethylamino)pyridine-2-carbonitrile
SMILESCOCCNc1ccnc(C#N)c1
InChIInChI=1S/C9H11N3O/c1-13-5-4-12-8-2-3-11-9(6-8)7-10/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyMWZRYBNLLGIQIH-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.01
Rot. Bonds4

About 4-(2-methoxyethylamino)pyridine-2-carbonitrile

4-(2-methoxyethylamino)pyridine-2-carbonitrile (PubChem CID 62924815) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-methoxyethylamino)pyridine-2-carbonitrile
PubChem CID62924815
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-(2-methoxyethylamino)pyridine-2-carbonitrile
SMILESCOCCNc1ccnc(C#N)c1
InChIInChI=1S/C9H11N3O/c1-13-5-4-12-8-2-3-11-9(6-8)7-10/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyMWZRYBNLLGIQIH-UHFFFAOYSA-N
XLogP1.01
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile
CID 62492330
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
CID 62925537
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(2-phenylsulfanylethylamino)pyridine-2-carbonitrile
CID 55156654
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile
CID 104561614

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(2-methoxyethylamino)pyridine-2-carbonitrile (CID 62924815) is 4-(2-methoxyethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-methoxyethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-methoxyethylamino)pyridine-2-carbonitrile is COCCNc1ccnc(C#N)c1.
What is the InChIKey of 4-(2-methoxyethylamino)pyridine-2-carbonitrile?
The InChIKey is MWZRYBNLLGIQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-13-5-4-12-8-2-3-11-9(6-8)7-10/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 4-(2-methoxyethylamino)pyridine-2-carbonitrile?
4-(2-methoxyethylamino)pyridine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 62924815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).