3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile

C19H21N5O — CID 109208546

IUPAC3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
SMILESCCN1CCN(C(=O)c2cc(Nc3cccc(C#N)c3)ccn2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-8-10-24(11-9-23)19(25)18-13-17(6-7-21-18)22-16-5-3-4-15(12-16)14-20/h3-7,12-13H,2,8-11H2,1H3,(H,21,22)
InChIKeyZJIGPIJRHCODFN-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.47
Rot. Bonds4

About 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile

3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile (PubChem CID 109208546) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
PubChem CID109208546
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
SMILESCCN1CCN(C(=O)c2cc(Nc3cccc(C#N)c3)ccn2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-8-10-24(11-9-23)19(25)18-13-17(6-7-21-18)22-16-5-3-4-15(12-16)14-20/h3-7,12-13H,2,8-11H2,1H3,(H,21,22)
InChIKeyZJIGPIJRHCODFN-UHFFFAOYSA-N
XLogP2.47
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile 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

3-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215208
2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208545
3-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216243
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208539
[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208531
4-[[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216328
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
4-[[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-pyridinyl]amino]benzonitrile
CID 109216036
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208518
3-[[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109345240
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The IUPAC name of 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile (CID 109208546) is 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The canonical SMILES for 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile is CCN1CCN(C(=O)c2cc(Nc3cccc(C#N)c3)ccn2)CC1.
What is the InChIKey of 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The InChIKey is ZJIGPIJRHCODFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-23-8-10-24(11-9-23)19(25)18-13-17(6-7-21-18)22-16-5-3-4-15(12-16)14-20/h3-7,12-13H,2,8-11H2,1H3,(H,21,22).
What are the key properties of 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile has a molecular weight of 335.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109208546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).