5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile

C19H23N5 — CID 133372771

IUPAC5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCN2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C19H23N5/c20-14-18-6-7-19(15-22-18)21-8-9-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-7,15,21H,8-13,16H2
InChIKeyMYPUTBBBTJZWFP-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.18
Rot. Bonds6

About 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile

5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133372771) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID133372771
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCN2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C19H23N5/c20-14-18-6-7-19(15-22-18)21-8-9-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-7,15,21H,8-13,16H2
InChIKeyMYPUTBBBTJZWFP-UHFFFAOYSA-N
XLogP2.18
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4-benzylpiperazin-1-yl)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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile (CID 133372771) is 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCCN2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is MYPUTBBBTJZWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c20-14-18-6-7-19(15-22-18)21-8-9-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-7,15,21H,8-13,16H2.
What are the key properties of 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile?
5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 321.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133372771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).