3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide

C19H17N5 — CID 174087200

IUPAC3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide
SMILESNC(=N/N=N/Cc1cccnc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H17N5/c20-19(23-24-22-14-15-6-5-11-21-13-15)18-10-4-9-17(12-18)16-7-2-1-3-8-16/h1-13H,14H2,(H2,20,22,23)
InChIKeyIZGLETIPWKSZPO-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.02
Rot. Bonds5

About 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide

3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide (PubChem CID 174087200) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide
PubChem CID174087200
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide
SMILESNC(=N/N=N/Cc1cccnc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H17N5/c20-19(23-24-22-14-15-6-5-11-21-13-15)18-10-4-9-17(12-18)16-7-2-1-3-8-16/h1-13H,14H2,(H2,20,22,23)
InChIKeyIZGLETIPWKSZPO-UHFFFAOYSA-N
XLogP4.02
TPSA75.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

4-Phenylpyridine
CID 13651
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
5-Phenyl-2-pyridinamine
CID 105097
(2-Phenylethyl)(3-pyridinylmethyl)amine hydrochloride
CID 201618
3-Phenyl-4-propylpyridine
CID 104638
3-(Naphthalen-2-yl)pyridine
CID 11845485
(3-Triphenylmethylaminomethyl)pyridine
CID 24868317
3-Benzylpyridine
CID 12112

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide?
The IUPAC name of 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide (CID 174087200) is 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide.
What is the SMILES notation for 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide?
The canonical SMILES for 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide is NC(=N/N=N/Cc1cccnc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide?
The InChIKey is IZGLETIPWKSZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-19(23-24-22-14-15-6-5-11-21-13-15)18-10-4-9-17(12-18)16-7-2-1-3-8-16/h1-13H,14H2,(H2,20,22,23).
What are the key properties of 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide?
3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide has a molecular weight of 315.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide is sourced from PubChem (CID 174087200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).