2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile

C10H11N3 — CID 130421315

IUPAC2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(/C=C/CCN)c1
InChIInChI=1S/C10H11N3/c11-5-2-1-3-10-7-9(8-12)4-6-13-10/h1,3-4,6-7H,2,5,11H2/b3-1+
InChIKeyMSPLTMUGRZWTQM-HNQUOIGGSA-N
MW173.22 g/mol
LogP1.32
Rot. Bonds3

About 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile

2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile (PubChem CID 130421315) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile
PubChem CID130421315
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(/C=C/CCN)c1
InChIInChI=1S/C10H11N3/c11-5-2-1-3-10-7-9(8-12)4-6-13-10/h1,3-4,6-7H,2,5,11H2/b3-1+
InChIKeyMSPLTMUGRZWTQM-HNQUOIGGSA-N
XLogP1.32
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-4-aminobut-1-enyl]pyridine-4-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-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile (CID 130421315) is 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile is N#Cc1ccnc(/C=C/CCN)c1.
What is the InChIKey of 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile?
The InChIKey is MSPLTMUGRZWTQM-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H11N3/c11-5-2-1-3-10-7-9(8-12)4-6-13-10/h1,3-4,6-7H,2,5,11H2/b3-1+.
What are the key properties of 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile?
2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile is sourced from PubChem (CID 130421315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).