2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile

C15H15N3 — CID 79749854

IUPAC2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
SMILESCc1ccccc1CCNc1cc(C#N)ccn1
InChIInChI=1S/C15H15N3/c1-12-4-2-3-5-14(12)7-9-18-15-10-13(11-16)6-8-17-15/h2-6,8,10H,7,9H2,1H3,(H,17,18)
InChIKeyZAQQVIRFPFSPAE-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile

2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 79749854) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID79749854
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
SMILESCc1ccccc1CCNc1cc(C#N)ccn1
InChIInChI=1S/C15H15N3/c1-12-4-2-3-5-14(12)7-9-18-15-10-13(11-16)6-8-17-15/h2-6,8,10H,7,9H2,1H3,(H,17,18)
InChIKeyZAQQVIRFPFSPAE-UHFFFAOYSA-N
XLogP2.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-methylphenyl)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-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
3-bromo-4-[2-(2-methylphenyl)ethylamino]benzonitrile
CID 82798535
5-amino-6-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468756
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80850064
2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 62615257
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 80683010
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 62642744
3-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]benzonitrile
CID 114480531
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile (CID 79749854) is 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile is Cc1ccccc1CCNc1cc(C#N)ccn1.
What is the InChIKey of 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is ZAQQVIRFPFSPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12-4-2-3-5-14(12)7-9-18-15-10-13(11-16)6-8-17-15/h2-6,8,10H,7,9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile?
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 79749854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).