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

C13H12N4O2 — CID 56933893

IUPACN'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1cccc(O)c1)c1ccncc1
InChIInChI=1S/C13H12N4O2/c18-12-3-1-2-11(8-12)15-9-16-17-13(19)10-4-6-14-7-5-10/h1-9,18H,(H,15,16)(H,17,19)
InChIKeyYKICDORTCUFCPB-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.38
Rot. Bonds4

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

N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide (PubChem CID 56933893) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide.

Molecular Properties

Compound NameN'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
PubChem CID56933893
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1cccc(O)c1)c1ccncc1
InChIInChI=1S/C13H12N4O2/c18-12-3-1-2-11(8-12)15-9-16-17-13(19)10-4-6-14-7-5-10/h1-9,18H,(H,15,16)(H,17,19)
InChIKeyYKICDORTCUFCPB-UHFFFAOYSA-N
XLogP1.38
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

Salinazid
CID 135400471
N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
Flavoteben
CID 135400468
Salicylaldehyde isonicotinoyl hydrazone
CID 10323
Pasiniazid
CID 16367
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
Acroteben
CID 5351737
N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 235705
N-(2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155534404
SCFSkp2-IN-2
CID 135457298
2-hydroxy-4-[[(E)-(pyridine-4-carbonylhydrazono)methyl]amino]benzoic acid
CID 16729025
N-[(E)-(5-chloro-2-hydroxy-anilino)methyleneamino]pyridine-4-carboxamide
CID 56649647

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The IUPAC name of N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide (CID 56933893) is N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide.
What is the SMILES notation for N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The canonical SMILES for N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide is O=C(NN/C=N/c1cccc(O)c1)c1ccncc1.
What is the InChIKey of N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The InChIKey is YKICDORTCUFCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-12-3-1-2-11(8-12)15-9-16-17-13(19)10-4-6-14-7-5-10/h1-9,18H,(H,15,16)(H,17,19).
What are the key properties of N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide has a molecular weight of 256.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide is sourced from PubChem (CID 56933893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).