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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Related Compounds

N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide
CID 10408953
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
N-cyano-N'-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1,4-diazepane-1-carboximidamide
CID 88789882
1-cyano-1-[6-[cyano-(N'-pyridin-3-ylcarbamimidoyl)amino]hexyl]-2-pyridin-3-ylguanidine
CID 54410768
N-cyano-N'-[12-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]dodecyl]pyrrolidine-1-carboximidamide
CID 86580340
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
N-cyano-N'-(pyridin-4-ylmethyl)piperazine-1-carboximidamide
CID 23289849
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine
CID 11161217
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185
(Z)-3-(azepan-1-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837414

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).