N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide

C15H14N4O — CID 10400703

IUPACN-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide
SMILESN#CN/C(=N\CCOc1ccccc1)c1cccnc1
InChIInChI=1S/C15H14N4O/c16-12-19-15(13-5-4-8-17-11-13)18-9-10-20-14-6-2-1-3-7-14/h1-8,11H,9-10H2,(H,18,19)
InChIKeyOAQLYANRTRGDFS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.98
Rot. Bonds5

About N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide

N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide (PubChem CID 10400703) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide
PubChem CID10400703
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide
SMILESN#CN/C(=N\CCOc1ccccc1)c1cccnc1
InChIInChI=1S/C15H14N4O/c16-12-19-15(13-5-4-8-17-11-13)18-9-10-20-14-6-2-1-3-7-14/h1-8,11H,9-10H2,(H,18,19)
InChIKeyOAQLYANRTRGDFS-UHFFFAOYSA-N
XLogP1.98
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-benzyl-N-cyanopyridine-3-carboximidamide
CID 10105525
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111004866
3-(3-phenoxypropoxy)pyridine
CID 86195847
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111006609
2-[3-[4-[3-[[amino-(cyanoamino)methylidene]amino]propoxy]phenoxy]propyl]-1-cyanoguanidine
CID 86121328
1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111834611
2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile
CID 22308718
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770
1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111802898
1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834610
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628

Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide?
The IUPAC name of N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide (CID 10400703) is N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide?
The canonical SMILES for N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide is N#CN/C(=N\CCOc1ccccc1)c1cccnc1.
What is the InChIKey of N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide?
The InChIKey is OAQLYANRTRGDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-12-19-15(13-5-4-8-17-11-13)18-9-10-20-14-6-2-1-3-7-14/h1-8,11H,9-10H2,(H,18,19).
What are the key properties of N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide?
N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide has a molecular weight of 266.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-(2-phenoxyethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 10400703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).