6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile

C11H14N4 — CID 2747101

IUPAC6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2
InChIKeyAWTOGESBXYCVMV-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.75
Rot. Bonds1

About 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile

6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 2747101) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
PubChem CID2747101
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2
InChIKeyAWTOGESBXYCVMV-UHFFFAOYSA-N
XLogP0.75
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,4-diazepan-1-yl)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 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile (CID 2747101) is 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCCNCC2)nc1.
What is the InChIKey of 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is AWTOGESBXYCVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2.
What are the key properties of 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile?
6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 2747101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).