N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide

C13H14N4O — CID 90973509

IUPACN-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide
SMILESNN/C(=N\Cc1ccccc1O)c1ccccn1
InChIInChI=1S/C13H14N4O/c14-17-13(11-6-3-4-8-15-11)16-9-10-5-1-2-7-12(10)18/h1-8,18H,9,14H2,(H,16,17)
InChIKeyYRDQPRTVUJQRIB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.20
Rot. Bonds3

About N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide

N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide (PubChem CID 90973509) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide
PubChem CID90973509
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide
SMILESNN/C(=N\Cc1ccccc1O)c1ccccn1
InChIInChI=1S/C13H14N4O/c14-17-13(11-6-3-4-8-15-11)16-9-10-5-1-2-7-12(10)18/h1-8,18H,9,14H2,(H,16,17)
InChIKeyYRDQPRTVUJQRIB-UHFFFAOYSA-N
XLogP1.20
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-N'-cycloheptylpyridine-2-carboximidamide
CID 61361948
2-[(pyridin-2-yldiazenyl)methyl]phenol
CID 54462661
1-pyridin-2-ylethenylhydrazine
CID 170235415
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
CID 88659691
CID 88659691
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N'-amino-N-(methylideneamino)pyridine-2-carboximidamide
CID 89392630
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
N'-[3-(2-hydroxyphenyl)propanoyl]pyridine-2-carbohydrazide
CID 27662045
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide?
The IUPAC name of N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide (CID 90973509) is N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide is NN/C(=N\Cc1ccccc1O)c1ccccn1.
What is the InChIKey of N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide?
The InChIKey is YRDQPRTVUJQRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-17-13(11-6-3-4-8-15-11)16-9-10-5-1-2-7-12(10)18/h1-8,18H,9,14H2,(H,16,17).
What are the key properties of N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide?
N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide has a molecular weight of 242.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 90973509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).