4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile

C8H9N3O2 — CID 45074666

IUPAC4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile
SMILESCCOC1=NC(=O)C=C(N)C1C#N
InChIInChI=1S/C8H9N3O2/c1-2-13-8-5(4-9)6(10)3-7(12)11-8/h3,5H,2,10H2,1H3
InChIKeyVRQHDXNGLAWNCV-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.06
Rot. Bonds1

About 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile

4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile (PubChem CID 45074666) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile
PubChem CID45074666
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile
SMILESCCOC1=NC(=O)C=C(N)C1C#N
InChIInChI=1S/C8H9N3O2/c1-2-13-8-5(4-9)6(10)3-7(12)11-8/h3,5H,2,10H2,1H3
InChIKeyVRQHDXNGLAWNCV-UHFFFAOYSA-N
XLogP-0.06
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile (CID 45074666) is 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile is CCOC1=NC(=O)C=C(N)C1C#N.
What is the InChIKey of 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is VRQHDXNGLAWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-13-8-5(4-9)6(10)3-7(12)11-8/h3,5H,2,10H2,1H3.
What are the key properties of 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile?
4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 179.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-6-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 45074666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).