N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide

C13H12N4O — CID 170856108

IUPACN'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
SMILESN/C(=N\N=C\c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C13H12N4O/c14-13(12-3-1-2-8-15-12)17-16-9-10-4-6-11(18)7-5-10/h1-9,18H,(H2,14,17)/b16-9+
InChIKeyLGXOVECBZVRKHR-CXUHLZMHSA-N
MW240.27 g/mol
LogP1.53
Rot. Bonds3

About N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide

N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide (PubChem CID 170856108) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
PubChem CID170856108
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
SMILESN/C(=N\N=C\c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C13H12N4O/c14-13(12-3-1-2-8-15-12)17-16-9-10-4-6-11(18)7-5-10/h1-9,18H,(H2,14,17)/b16-9+
InChIKeyLGXOVECBZVRKHR-CXUHLZMHSA-N
XLogP1.53
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 4685121
N'-(4-hydroxyphenyl)pyridine-2-carboximidamide
CID 136600312
N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide
CID 5479755
4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 2841390
N'-aminopyridine-2-carboximidamide
CID 5464234
(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid
CID 143887277
2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591058
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
2-[[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
CID 135735412
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
CID 6474442
N'-(1,3-benzothiazol-2-yl)pyridine-2-carboximidamide
CID 54598241

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide?
The IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide (CID 170856108) is N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide is N/C(=N\N=C\c1ccc(O)cc1)c1ccccn1.
What is the InChIKey of N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide?
The InChIKey is LGXOVECBZVRKHR-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H12N4O/c14-13(12-3-1-2-8-15-12)17-16-9-10-4-6-11(18)7-5-10/h1-9,18H,(H2,14,17)/b16-9+.
What are the key properties of N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide?
N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide has a molecular weight of 240.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide is sourced from PubChem (CID 170856108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).