2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile

C12H14N4O — CID 14882464

IUPAC2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile
SMILESCCOc1nc(N)c(C#N)c(C(C)C)c1C#N
InChIInChI=1S/C12H14N4O/c1-4-17-12-9(6-14)10(7(2)3)8(5-13)11(15)16-12/h7H,4H2,1-3H3,(H2,15,16)
InChIKeyZAYJYIQWZDBUAN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile

2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 14882464) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile
PubChem CID14882464
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile
SMILESCCOc1nc(N)c(C#N)c(C(C)C)c1C#N
InChIInChI=1S/C12H14N4O/c1-4-17-12-9(6-14)10(7(2)3)8(5-13)11(15)16-12/h7H,4H2,1-3H3,(H2,15,16)
InChIKeyZAYJYIQWZDBUAN-UHFFFAOYSA-N
XLogP1.93
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile 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 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile (CID 14882464) is 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile is CCOc1nc(N)c(C#N)c(C(C)C)c1C#N.
What is the InChIKey of 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is ZAYJYIQWZDBUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-4-17-12-9(6-14)10(7(2)3)8(5-13)11(15)16-12/h7H,4H2,1-3H3,(H2,15,16).
What are the key properties of 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile?
2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-4-propan-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 14882464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).