6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile

C13H19N5 — CID 64589579

IUPAC6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCCN2CCNCC2)n1
InChIInChI=1S/C13H19N5/c14-11-12-3-1-4-13(17-12)16-5-2-8-18-9-6-15-7-10-18/h1,3-4,15H,2,5-10H2,(H,16,17)
InChIKeyMTFUZABKMHPMTP-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.66
Rot. Bonds5

About 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile

6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile (PubChem CID 64589579) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile
PubChem CID64589579
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCCN2CCNCC2)n1
InChIInChI=1S/C13H19N5/c14-11-12-3-1-4-13(17-12)16-5-2-8-18-9-6-15-7-10-18/h1,3-4,15H,2,5-10H2,(H,16,17)
InChIKeyMTFUZABKMHPMTP-UHFFFAOYSA-N
XLogP0.66
TPSA63.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile (CID 64589579) is 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile is N#Cc1cccc(NCCCN2CCNCC2)n1.
What is the InChIKey of 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile?
The InChIKey is MTFUZABKMHPMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-11-12-3-1-4-13(17-12)16-5-2-8-18-9-6-15-7-10-18/h1,3-4,15H,2,5-10H2,(H,16,17).
What are the key properties of 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile?
6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 64589579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).