N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide

C12H12N4 — CID 528154

IUPACN'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
SMILESN/C(=N\Cc1ccccn1)c1ccccn1
InChIInChI=1S/C12H12N4/c13-12(11-6-2-4-8-15-11)16-9-10-5-1-3-7-14-10/h1-8H,9H2,(H2,13,16)
InChIKeyVZAVILCTUJNLIP-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.38
Rot. Bonds3

About N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide

N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide (PubChem CID 528154) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
PubChem CID528154
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC NameN'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
SMILESN/C(=N\Cc1ccccn1)c1ccccn1
InChIInChI=1S/C12H12N4/c13-12(11-6-2-4-8-15-11)16-9-10-5-1-3-7-14-10/h1-8H,9H2,(H2,13,16)
InChIKeyVZAVILCTUJNLIP-UHFFFAOYSA-N
XLogP1.38
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide
CID 90668643
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
N'-aminopyridine-2-carboximidamide
CID 5464234
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide
CID 100962340
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide?
The IUPAC name of N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide (CID 528154) is N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide is N/C(=N\Cc1ccccn1)c1ccccn1.
What is the InChIKey of N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide?
The InChIKey is VZAVILCTUJNLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-12(11-6-2-4-8-15-11)16-9-10-5-1-3-7-14-10/h1-8H,9H2,(H2,13,16).
What are the key properties of N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide?
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide has a molecular weight of 212.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 528154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).