2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile

C15H16N4 — CID 60876115

IUPAC2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
SMILESCCN(Cc1ccccc1N)c1cc(C#N)ccn1
InChIInChI=1S/C15H16N4/c1-2-19(11-13-5-3-4-6-14(13)17)15-9-12(10-16)7-8-18-15/h3-9H,2,11,17H2,1H3
InChIKeyYJEUPMQVYUBSRE-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds4

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

2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile (PubChem CID 60876115) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
PubChem CID60876115
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
SMILESCCN(Cc1ccccc1N)c1cc(C#N)ccn1
InChIInChI=1S/C15H16N4/c1-2-19(11-13-5-3-4-6-14(13)17)15-9-12(10-16)7-8-18-15/h3-9H,2,11,17H2,1H3
InChIKeyYJEUPMQVYUBSRE-UHFFFAOYSA-N
XLogP2.56
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
CID 60877236
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 79390747
2-[(2-aminophenyl)methyl-ethylamino]benzonitrile
CID 60877021
2-[(2-aminophenyl)methyl-ethylamino]-5-bromobenzonitrile
CID 114895090
2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 62115648
4-[(2-aminophenyl)methyl-propylamino]-3-bromobenzonitrile
CID 82788895
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
CID 83064268
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile (CID 60876115) is 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile is CCN(Cc1ccccc1N)c1cc(C#N)ccn1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile?
The InChIKey is YJEUPMQVYUBSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-19(11-13-5-3-4-6-14(13)17)15-9-12(10-16)7-8-18-15/h3-9H,2,11,17H2,1H3.
What are the key properties of 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile?
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 60876115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).