1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C11H13N5O2 — CID 11311192

IUPAC1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(COCCN=[N+]=[N-])c(=O)c1C#N
InChIInChI=1S/C11H13N5O2/c1-8-5-9(2)16(11(17)10(8)6-12)7-18-4-3-14-15-13/h5H,3-4,7H2,1-2H3
InChIKeyWGGJOYXULOOOEU-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.62
Rot. Bonds5

About 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 11311192) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID11311192
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(COCCN=[N+]=[N-])c(=O)c1C#N
InChIInChI=1S/C11H13N5O2/c1-8-5-9(2)16(11(17)10(8)6-12)7-18-4-3-14-15-13/h5H,3-4,7H2,1-2H3
InChIKeyWGGJOYXULOOOEU-UHFFFAOYSA-N
XLogP1.62
TPSA103.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-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 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 11311192) is 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(COCCN=[N+]=[N-])c(=O)c1C#N.
What is the InChIKey of 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is WGGJOYXULOOOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-5-9(2)16(11(17)10(8)6-12)7-18-4-3-14-15-13/h5H,3-4,7H2,1-2H3.
What are the key properties of 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxymethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 11311192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).