N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide

C11H13N5 — CID 45276257

IUPACN'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide
SMILESN/C(=N\CCc1cnc[nH]1)c1ccncc1
InChIInChI=1S/C11H13N5/c12-11(9-1-4-13-5-2-9)15-6-3-10-7-14-8-16-10/h1-2,4-5,7-8H,3,6H2,(H2,12,15)(H,14,16)
InChIKeyIZJCBWYBSNAIQQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.75
Rot. Bonds4

About N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide

N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide (PubChem CID 45276257) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide
PubChem CID45276257
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide
SMILESN/C(=N\CCc1cnc[nH]1)c1ccncc1
InChIInChI=1S/C11H13N5/c12-11(9-1-4-13-5-2-9)15-6-3-10-7-14-8-16-10/h1-2,4-5,7-8H,3,6H2,(H2,12,15)(H,14,16)
InChIKeyIZJCBWYBSNAIQQ-UHFFFAOYSA-N
XLogP0.75
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide?
The IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide (CID 45276257) is N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide.
What is the SMILES notation for N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide?
The canonical SMILES for N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide is N/C(=N\CCc1cnc[nH]1)c1ccncc1.
What is the InChIKey of N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide?
The InChIKey is IZJCBWYBSNAIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-11(9-1-4-13-5-2-9)15-6-3-10-7-14-8-16-10/h1-2,4-5,7-8H,3,6H2,(H2,12,15)(H,14,16).
What are the key properties of N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide?
N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide has a molecular weight of 215.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboximidamide is sourced from PubChem (CID 45276257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).