N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide

C13H11ClN4O — CID 56934032

IUPACN'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C13H11ClN4O/c14-11-2-1-3-12(8-11)16-9-17-18-13(19)10-4-6-15-7-5-10/h1-9H,(H,16,17)(H,18,19)
InChIKeyKZJLDNOWMJRRGZ-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.33
Rot. Bonds4

About N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide

N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide (PubChem CID 56934032) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
PubChem CID56934032
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C13H11ClN4O/c14-11-2-1-3-12(8-11)16-9-17-18-13(19)10-4-6-15-7-5-10/h1-9H,(H,16,17)(H,18,19)
InChIKeyKZJLDNOWMJRRGZ-UHFFFAOYSA-N
XLogP2.33
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.33
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide (CID 56934032) is N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide is O=C(NN/C=N/c1cccc(Cl)c1)c1ccncc1.
What is the InChIKey of N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The InChIKey is KZJLDNOWMJRRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-11-2-1-3-12(8-11)16-9-17-18-13(19)10-4-6-15-7-5-10/h1-9H,(H,16,17)(H,18,19).
What are the key properties of N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide has a molecular weight of 274.71 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide is sourced from PubChem (CID 56934032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).