6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile

C14H14N4 — CID 61220422

IUPAC6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCc2ccc(N)cc2)nc1
InChIInChI=1S/C14H14N4/c15-9-12-3-6-14(18-10-12)17-8-7-11-1-4-13(16)5-2-11/h1-6,10H,7-8,16H2,(H,17,18)
InChIKeyKRCSRXTUNSWJMS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.19
Rot. Bonds4

About 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile

6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 61220422) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID61220422
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCc2ccc(N)cc2)nc1
InChIInChI=1S/C14H14N4/c15-9-12-3-6-14(18-10-12)17-8-7-11-1-4-13(16)5-2-11/h1-6,10H,7-8,16H2,(H,17,18)
InChIKeyKRCSRXTUNSWJMS-UHFFFAOYSA-N
XLogP2.19
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile (CID 61220422) is 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCc2ccc(N)cc2)nc1.
What is the InChIKey of 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is KRCSRXTUNSWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-9-12-3-6-14(18-10-12)17-8-7-11-1-4-13(16)5-2-11/h1-6,10H,7-8,16H2,(H,17,18).
What are the key properties of 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile?
6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 61220422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).