N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide

C12H15N5 — CID 3050756

IUPACN-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide
SMILESN#CN/C(=N\c1cccnc1)N1CCCCC1
InChIInChI=1S/C12H15N5/c13-10-15-12(17-7-2-1-3-8-17)16-11-5-4-6-14-9-11/h4-6,9H,1-3,7-8H2,(H,15,16)
InChIKeyRNJAABBLQFFNQW-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.63
Rot. Bonds1

About N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide

N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide (PubChem CID 3050756) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide
PubChem CID3050756
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide
SMILESN#CN/C(=N\c1cccnc1)N1CCCCC1
InChIInChI=1S/C12H15N5/c13-10-15-12(17-7-2-1-3-8-17)16-11-5-4-6-14-9-11/h4-6,9H,1-3,7-8H2,(H,15,16)
InChIKeyRNJAABBLQFFNQW-UHFFFAOYSA-N
XLogP1.63
TPSA64.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-pyridin-3-ylpiperidine-1-carboximidamide?
The IUPAC name of N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide (CID 3050756) is N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide?
The canonical SMILES for N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide is N#CN/C(=N\c1cccnc1)N1CCCCC1.
What is the InChIKey of N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide?
The InChIKey is RNJAABBLQFFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-10-15-12(17-7-2-1-3-8-17)16-11-5-4-6-14-9-11/h4-6,9H,1-3,7-8H2,(H,15,16).
What are the key properties of N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide?
N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 3050756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).