ethane;2-ethylpyridine;3-methylbenzonitrile

C17H22N2 — CID 145128447

IUPACethane;2-ethylpyridine;3-methylbenzonitrile
SMILESCC.CCc1ccccn1.Cc1cccc(C#N)c1
InChIInChI=1S/C8H7N.C7H9N.C2H6/c1-7-3-2-4-8(5-7)6-9;1-2-7-5-3-4-6-8-7;1-2/h2-5H,1H3;3-6H,2H2,1H3;1-2H3
InChIKeyFZNLGVLGIUQLJP-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.54
Rot. Bonds1

About ethane;2-ethylpyridine;3-methylbenzonitrile

ethane;2-ethylpyridine;3-methylbenzonitrile (PubChem CID 145128447) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is ethane;2-ethylpyridine;3-methylbenzonitrile.

Molecular Properties

Compound Nameethane;2-ethylpyridine;3-methylbenzonitrile
PubChem CID145128447
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Nameethane;2-ethylpyridine;3-methylbenzonitrile
SMILESCC.CCc1ccccn1.Cc1cccc(C#N)c1
InChIInChI=1S/C8H7N.C7H9N.C2H6/c1-7-3-2-4-8(5-7)6-9;1-2-7-5-3-4-6-8-7;1-2/h2-5H,1H3;3-6H,2H2,1H3;1-2H3
InChIKeyFZNLGVLGIUQLJP-UHFFFAOYSA-N
XLogP4.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-ethylpyridine;3-methylbenzonitrile 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 ethane;2-ethylpyridine;3-methylbenzonitrile?
The IUPAC name of ethane;2-ethylpyridine;3-methylbenzonitrile (CID 145128447) is ethane;2-ethylpyridine;3-methylbenzonitrile.
What is the SMILES notation for ethane;2-ethylpyridine;3-methylbenzonitrile?
The canonical SMILES for ethane;2-ethylpyridine;3-methylbenzonitrile is CC.CCc1ccccn1.Cc1cccc(C#N)c1.
What is the InChIKey of ethane;2-ethylpyridine;3-methylbenzonitrile?
The InChIKey is FZNLGVLGIUQLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H9N.C2H6/c1-7-3-2-4-8(5-7)6-9;1-2-7-5-3-4-6-8-7;1-2/h2-5H,1H3;3-6H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethylpyridine;3-methylbenzonitrile?
ethane;2-ethylpyridine;3-methylbenzonitrile has a molecular weight of 254.38 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylpyridine;3-methylbenzonitrile is sourced from PubChem (CID 145128447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).