3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide

C17H28N6O — CID 111220489

IUPAC3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H28N6O/c1-4-19-16(21-13-17(2,3)15(18)24)23-11-9-22(10-12-23)14-7-5-6-8-20-14/h5-8H,4,9-13H2,1-3H3,(H2,18,24)(H,19,21)
InChIKeyXUPQGFNJSFXCDB-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.68
Rot. Bonds5

About 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide

3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 111220489) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID111220489
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H28N6O/c1-4-19-16(21-13-17(2,3)15(18)24)23-11-9-22(10-12-23)14-7-5-6-8-20-14/h5-8H,4,9-13H2,1-3H3,(H2,18,24)(H,19,21)
InChIKeyXUPQGFNJSFXCDB-UHFFFAOYSA-N
XLogP0.68
TPSA86.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide 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

N-ethyl-N'-(2-methoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219949
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N-ethyl-4-pyridin-2-yl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111983962
N-ethyl-4-[[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]methyl]benzamide
CID 111221135
N-ethyl-4-[[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 111221134
2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111219921
N-[2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111220774
N-ethyl-4-pyridin-2-yl-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111221185
N-ethyl-N'-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219550
N-ethyl-4-pyridin-2-yl-N'-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperazine-1-carboximidamide
CID 111220649
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219101
3-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111152458

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide (CID 111220489) is 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide is CCN/C(=N\CC(C)(C)C(N)=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is XUPQGFNJSFXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-19-16(21-13-17(2,3)15(18)24)23-11-9-22(10-12-23)14-7-5-6-8-20-14/h5-8H,4,9-13H2,1-3H3,(H2,18,24)(H,19,21).
What are the key properties of 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide?
3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 332.45 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 111220489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).