3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile

C10H14N4O — CID 82816731

IUPAC3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
SMILESCCOCCNc1nccc(C#N)c1N
InChIInChI=1S/C10H14N4O/c1-2-15-6-5-14-10-9(12)8(7-11)3-4-13-10/h3-4H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyVEOYXXHSVFGLTI-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.98
Rot. Bonds5

About 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile

3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile (PubChem CID 82816731) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
PubChem CID82816731
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
SMILESCCOCCNc1nccc(C#N)c1N
InChIInChI=1S/C10H14N4O/c1-2-15-6-5-14-10-9(12)8(7-11)3-4-13-10/h3-4H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyVEOYXXHSVFGLTI-UHFFFAOYSA-N
XLogP0.98
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile (CID 82816731) is 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile is CCOCCNc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile?
The InChIKey is VEOYXXHSVFGLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-15-6-5-14-10-9(12)8(7-11)3-4-13-10/h3-4H,2,5-6,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile?
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82816731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).