N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide

C19H23N7 — CID 46861872

IUPACN-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide
SMILESN#CN/C(=N\CCCN1CCN(c2ccccn2)CC1)c1ccncc1
InChIInChI=1S/C19H23N7/c20-16-24-19(17-5-9-21-10-6-17)23-8-3-11-25-12-14-26(15-13-25)18-4-1-2-7-22-18/h1-2,4-7,9-10H,3,8,11-15H2,(H,23,24)
InChIKeyJPCJGSJYXPPMAF-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.51
Rot. Bonds6

About N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide

N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide (PubChem CID 46861872) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide
PubChem CID46861872
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide
SMILESN#CN/C(=N\CCCN1CCN(c2ccccn2)CC1)c1ccncc1
InChIInChI=1S/C19H23N7/c20-16-24-19(17-5-9-21-10-6-17)23-8-3-11-25-12-14-26(15-13-25)18-4-1-2-7-22-18/h1-2,4-7,9-10H,3,8,11-15H2,(H,23,24)
InChIKeyJPCJGSJYXPPMAF-UHFFFAOYSA-N
XLogP1.51
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide?
The IUPAC name of N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide (CID 46861872) is N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide.
What is the SMILES notation for N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide?
The canonical SMILES for N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide is N#CN/C(=N\CCCN1CCN(c2ccccn2)CC1)c1ccncc1.
What is the InChIKey of N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide?
The InChIKey is JPCJGSJYXPPMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c20-16-24-19(17-5-9-21-10-6-17)23-8-3-11-25-12-14-26(15-13-25)18-4-1-2-7-22-18/h1-2,4-7,9-10H,3,8,11-15H2,(H,23,24).
What are the key properties of N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide?
N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide has a molecular weight of 349.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyridine-4-carboximidamide is sourced from PubChem (CID 46861872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).