6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C14H19N3O2 — CID 82521414

IUPAC6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCCN1CCc2c(cc(C#N)c(=O)n2CCOC)C1
InChIInChI=1S/C14H19N3O2/c1-3-16-5-4-13-12(10-16)8-11(9-15)14(18)17(13)6-7-19-2/h8H,3-7,10H2,1-2H3
InChIKeyDXLFLYGYJSHSRU-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.74
Rot. Bonds4

About 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 82521414) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID82521414
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCCN1CCc2c(cc(C#N)c(=O)n2CCOC)C1
InChIInChI=1S/C14H19N3O2/c1-3-16-5-4-13-12(10-16)8-11(9-15)14(18)17(13)6-7-19-2/h8H,3-7,10H2,1-2H3
InChIKeyDXLFLYGYJSHSRU-UHFFFAOYSA-N
XLogP0.74
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-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 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 82521414) is 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is CCN1CCc2c(cc(C#N)c(=O)n2CCOC)C1.
What is the InChIKey of 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is DXLFLYGYJSHSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-16-5-4-13-12(10-16)8-11(9-15)14(18)17(13)6-7-19-2/h8H,3-7,10H2,1-2H3.
What are the key properties of 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 82521414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).