N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide

C17H14N6 — CID 154044085

IUPACN'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide
SMILESNC(=N/N=N/c1cccc(-c2ccccn2)c1)c1ccccn1
InChIInChI=1S/C17H14N6/c18-17(16-9-2-4-11-20-16)22-23-21-14-7-5-6-13(12-14)15-8-1-3-10-19-15/h1-12H,(H2,18,21,22)
InChIKeyLRPXEWZHEQRORC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.55
Rot. Bonds4

About N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide

N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide (PubChem CID 154044085) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide
PubChem CID154044085
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC NameN'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide
SMILESNC(=N/N=N/c1cccc(-c2ccccn2)c1)c1ccccn1
InChIInChI=1S/C17H14N6/c18-17(16-9-2-4-11-20-16)22-23-21-14-7-5-6-13(12-14)15-8-1-3-10-19-15/h1-12H,(H2,18,21,22)
InChIKeyLRPXEWZHEQRORC-UHFFFAOYSA-N
XLogP3.55
TPSA88.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[(4-methoxy-3-pyridin-3-ylphenyl)diazenyl]pyridine-2-carboximidamide
CID 173477402
6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
CID 139045239
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
N'-aminopyridine-2-carboximidamide
CID 5464234
hydrazine;2-phenylpyridine
CID 158673997
CID 88529992
CID 88529992
2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
CID 101246219
3-pyridin-2-ylbenzoate
CID 7020368
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787

Frequently Asked Questions

What is the IUPAC name of N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide?
The IUPAC name of N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide (CID 154044085) is N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide is NC(=N/N=N/c1cccc(-c2ccccn2)c1)c1ccccn1.
What is the InChIKey of N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide?
The InChIKey is LRPXEWZHEQRORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c18-17(16-9-2-4-11-20-16)22-23-21-14-7-5-6-13(12-14)15-8-1-3-10-19-15/h1-12H,(H2,18,21,22).
What are the key properties of N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide?
N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide has a molecular weight of 302.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide is sourced from PubChem (CID 154044085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).