3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile

C18H15N7 — CID 164828706

IUPAC3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(N)c(/N=N/Cc3ccccn3)c(N)n2)c1
InChIInChI=1S/C18H15N7/c19-10-12-4-3-5-13(8-12)16-9-15(20)17(18(21)24-16)25-23-11-14-6-1-2-7-22-14/h1-9H,11H2,(H4,20,21,24)/b25-23+
InChIKeyUQNVMYGLZVPSTA-WJTDDFOZSA-N
MW329.37 g/mol
LogP3.46
Rot. Bonds4

About 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile

3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile (PubChem CID 164828706) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile
PubChem CID164828706
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(N)c(/N=N/Cc3ccccn3)c(N)n2)c1
InChIInChI=1S/C18H15N7/c19-10-12-4-3-5-13(8-12)16-9-15(20)17(18(21)24-16)25-23-11-14-6-1-2-7-22-14/h1-9H,11H2,(H4,20,21,24)/b25-23+
InChIKeyUQNVMYGLZVPSTA-WJTDDFOZSA-N
XLogP3.46
TPSA126.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
CID 58004350
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307207
3-[8-[N-(pyridin-2-ylmethyl)anilino]isoquinolin-3-yl]benzonitrile
CID 90425093
[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-(pyridin-2-ylmethyl)diazene
CID 91930693
3-[3-[4-[2,6-bis(4-pyridin-2-ylphenyl)-4-pyridinyl]phenyl]quinoxalin-2-yl]benzonitrile
CID 146986585
3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146320958
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
ethane;2-ethylpyridine;3-methylbenzonitrile
CID 145128447

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile (CID 164828706) is 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2cc(N)c(/N=N/Cc3ccccn3)c(N)n2)c1.
What is the InChIKey of 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile?
The InChIKey is UQNVMYGLZVPSTA-WJTDDFOZSA-N. The full InChI is InChI=1S/C18H15N7/c19-10-12-4-3-5-13(8-12)16-9-15(20)17(18(21)24-16)25-23-11-14-6-1-2-7-22-14/h1-9H,11H2,(H4,20,21,24)/b25-23+.
What are the key properties of 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile?
3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile has a molecular weight of 329.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 164828706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).