N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide

C13H11ClN4O2 — CID 56649647

IUPACN'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1cc(Cl)ccc1O)c1ccncc1
InChIInChI=1S/C13H11ClN4O2/c14-10-1-2-12(19)11(7-10)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20)
InChIKeyDAIWQFYSYBEVAN-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.04
Rot. Bonds4

About N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide

N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide (PubChem CID 56649647) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide.

Molecular Properties

Compound NameN'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
PubChem CID56649647
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC NameN'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1cc(Cl)ccc1O)c1ccncc1
InChIInChI=1S/C13H11ClN4O2/c14-10-1-2-12(19)11(7-10)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20)
InChIKeyDAIWQFYSYBEVAN-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'}

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Related Compounds

N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 135458873
N-(2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155534404
N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155539630
N-(5-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155567685
N-[(E)-(3-hydroxyanilino)methyleneamino]pyridine-4-carboxamide
CID 56933893
N-[(E)-(4-hydroxyanilino)methyleneamino]pyridine-4-carboxamide
CID 56933894
N-[(E)-(4-chloro-2-hydroxy-anilino)methyleneamino]pyridine-4-carboxamide
CID 56934034
N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
CID 837857
N-(5-chloro-2-hydroxyphenyl)nicotinamide
CID 11536112
N'-(5-chloro-2-hydroxybenzylidene)isonicotinohydrazide
CID 231424
N'-[(1E)-(2-Chloro-5-hydroxyphenyl)methylene]isonicotinohydrazide
CID 176468259
N-[5-chloro-2-hydroxy-4-trifluoromethylphenyl]isonicotinamide
CID 66879747

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The IUPAC name of N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide (CID 56649647) is N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide.
What is the SMILES notation for N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The canonical SMILES for N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide is O=C(NN/C=N/c1cc(Cl)ccc1O)c1ccncc1.
What is the InChIKey of N'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The InChIKey is DAIWQFYSYBEVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-10-1-2-12(19)11(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'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
N'-(5-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'-(5-chloro-2-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide is sourced from PubChem (CID 56649647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).