4-(3-ethylanilino)pyridine-2-carbonitrile

C14H13N3 — CID 62925653

IUPAC4-(3-ethylanilino)pyridine-2-carbonitrile
SMILESCCc1cccc(Nc2ccnc(C#N)c2)c1
InChIInChI=1S/C14H13N3/c1-2-11-4-3-5-12(8-11)17-13-6-7-16-14(9-13)10-15/h3-9H,2H2,1H3,(H,16,17)
InChIKeyDABYPJFSDRPTJY-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.26
Rot. Bonds3

About 4-(3-ethylanilino)pyridine-2-carbonitrile

4-(3-ethylanilino)pyridine-2-carbonitrile (PubChem CID 62925653) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-ethylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-ethylanilino)pyridine-2-carbonitrile
PubChem CID62925653
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-(3-ethylanilino)pyridine-2-carbonitrile
SMILESCCc1cccc(Nc2ccnc(C#N)c2)c1
InChIInChI=1S/C14H13N3/c1-2-11-4-3-5-12(8-11)17-13-6-7-16-14(9-13)10-15/h3-9H,2H2,1H3,(H,16,17)
InChIKeyDABYPJFSDRPTJY-UHFFFAOYSA-N
XLogP3.26
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-ethylanilino)pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-ethylanilino)pyridine-2-carbonitrile (CID 62925653) is 4-(3-ethylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-ethylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-ethylanilino)pyridine-2-carbonitrile is CCc1cccc(Nc2ccnc(C#N)c2)c1.
What is the InChIKey of 4-(3-ethylanilino)pyridine-2-carbonitrile?
The InChIKey is DABYPJFSDRPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-11-4-3-5-12(8-11)17-13-6-7-16-14(9-13)10-15/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 4-(3-ethylanilino)pyridine-2-carbonitrile?
4-(3-ethylanilino)pyridine-2-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62925653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).