2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile

C15H10N4 — CID 167664838

IUPAC2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile
SMILESN#CC(C#N)=NCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C15H10N4/c16-8-15(9-17)19-10-12-3-5-13(6-4-12)14-2-1-7-18-11-14/h1-7,11H,10H2
InChIKeySMAYZQBNXLFEHP-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.74
Rot. Bonds3

About 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile

2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile (PubChem CID 167664838) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile.

Molecular Properties

Compound Name2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile
PubChem CID167664838
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile
SMILESN#CC(C#N)=NCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C15H10N4/c16-8-15(9-17)19-10-12-3-5-13(6-4-12)14-2-1-7-18-11-14/h1-7,11H,10H2
InChIKeySMAYZQBNXLFEHP-UHFFFAOYSA-N
XLogP2.74
TPSA72.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-azulen-6-ylpyridine
CID 86232079
(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile
CID 68774707
CID 147291067
CID 147291067
bis(4-pyridin-3-ylphenyl)diazene
CID 101443558
cyclopenta[c]azepine
CID 638010
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-[4-(4-but-3-enylphenyl)phenyl]pyridine
CID 142377075
2,5-dipyridin-3-ylbenzonitrile
CID 46316425
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
CID 141390156
CID 141390156
N'-benzyl-N-cyanopyridine-3-carboximidamide
CID 10105525
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile?
The IUPAC name of 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile (CID 167664838) is 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile.
What is the SMILES notation for 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile?
The canonical SMILES for 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile is N#CC(C#N)=NCc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile?
The InChIKey is SMAYZQBNXLFEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-8-15(9-17)19-10-12-3-5-13(6-4-12)14-2-1-7-18-11-14/h1-7,11H,10H2.
What are the key properties of 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile?
2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile has a molecular weight of 246.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile is sourced from PubChem (CID 167664838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).