N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide

C13H11ClN4O2 — CID 56934034

IUPACN'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1ccc(Cl)cc1O)c1ccncc1
InChIInChI=1S/C13H11ClN4O2/c14-10-1-2-11(12(19)7-10)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20)
InChIKeyNPJFJMNKQZURAQ-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.04
Rot. Bonds4

About N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide

N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide (PubChem CID 56934034) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide.

Molecular Properties

Compound NameN'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
PubChem CID56934034
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC NameN'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1ccc(Cl)cc1O)c1ccncc1
InChIInChI=1S/C13H11ClN4O2/c14-10-1-2-11(12(19)7-10)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20)
InChIKeyNPJFJMNKQZURAQ-UHFFFAOYSA-N
XLogP2.04
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide 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'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The IUPAC name of N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide (CID 56934034) is N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide.
What is the SMILES notation for N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The canonical SMILES for N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide is O=C(NN/C=N/c1ccc(Cl)cc1O)c1ccncc1.
What is the InChIKey of N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The InChIKey is NPJFJMNKQZURAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-10-1-2-11(12(19)7-10)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20).
What are the key properties of N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide has a molecular weight of 290.71 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide is sourced from PubChem (CID 56934034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).