2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile

C17H19N3 — CID 15945611

IUPAC2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCCCc1ccc(C(C)Nc2ncccc2C#N)cc1
InChIInChI=1S/C17H19N3/c1-3-5-14-7-9-15(10-8-14)13(2)20-17-16(12-18)6-4-11-19-17/h4,6-11,13H,3,5H2,1-2H3,(H,19,20)
InChIKeyWGYYFSNWBGOEAH-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.08
Rot. Bonds5

About 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile

2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 15945611) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID15945611
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCCCc1ccc(C(C)Nc2ncccc2C#N)cc1
InChIInChI=1S/C17H19N3/c1-3-5-14-7-9-15(10-8-14)13(2)20-17-16(12-18)6-4-11-19-17/h4,6-11,13H,3,5H2,1-2H3,(H,19,20)
InChIKeyWGYYFSNWBGOEAH-UHFFFAOYSA-N
XLogP4.08
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-propylphenyl)ethylamino]pyridine-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 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile (CID 15945611) is 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile is CCCc1ccc(C(C)Nc2ncccc2C#N)cc1.
What is the InChIKey of 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is WGYYFSNWBGOEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-5-14-7-9-15(10-8-14)13(2)20-17-16(12-18)6-4-11-19-17/h4,6-11,13H,3,5H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile?
2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propylphenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 15945611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).