6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile

C13H12N4 — CID 55084059

IUPAC6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2cccc(N)c2)nc1
InChIInChI=1S/C13H12N4/c14-7-11-4-5-13(17-9-11)16-8-10-2-1-3-12(15)6-10/h1-6,9H,8,15H2,(H,16,17)
InChIKeyCFHAQIWFXITNAX-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.15
Rot. Bonds3

About 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile

6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 55084059) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
PubChem CID55084059
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2cccc(N)c2)nc1
InChIInChI=1S/C13H12N4/c14-7-11-4-5-13(17-9-11)16-8-10-2-1-3-12(15)6-10/h1-6,9H,8,15H2,(H,16,17)
InChIKeyCFHAQIWFXITNAX-UHFFFAOYSA-N
XLogP2.15
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile (CID 55084059) is 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCc2cccc(N)c2)nc1.
What is the InChIKey of 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is CFHAQIWFXITNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-7-11-4-5-13(17-9-11)16-8-10-2-1-3-12(15)6-10/h1-6,9H,8,15H2,(H,16,17).
What are the key properties of 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile?
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 55084059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).