4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile

C11H16N4 — CID 62926078

IUPAC4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
SMILESCCCNCCNc1ccnc(C#N)c1
InChIInChI=1S/C11H16N4/c1-2-4-13-6-7-15-10-3-5-14-11(8-10)9-12/h3,5,8,13H,2,4,6-7H2,1H3,(H,14,15)
InChIKeyGCFSJRVGVOFSIS-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.36
Rot. Bonds6

About 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile

4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile (PubChem CID 62926078) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
PubChem CID62926078
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
SMILESCCCNCCNc1ccnc(C#N)c1
InChIInChI=1S/C11H16N4/c1-2-4-13-6-7-15-10-3-5-14-11(8-10)9-12/h3,5,8,13H,2,4,6-7H2,1H3,(H,14,15)
InChIKeyGCFSJRVGVOFSIS-UHFFFAOYSA-N
XLogP1.36
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
CID 62925537
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421
4-[2-(propylamino)ethylamino]benzonitrile
CID 62664287

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile (CID 62926078) is 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile is CCCNCCNc1ccnc(C#N)c1.
What is the InChIKey of 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile?
The InChIKey is GCFSJRVGVOFSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-4-13-6-7-15-10-3-5-14-11(8-10)9-12/h3,5,8,13H,2,4,6-7H2,1H3,(H,14,15).
What are the key properties of 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile?
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62926078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).