N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide

C19H27N7O — CID 119159184

IUPACN-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccncc1)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C19H27N7O/c1-3-21-19(23-9-6-16-4-7-20-8-5-16)26-14-12-25(13-15-26)17-18(27)24(2)11-10-22-17/h4-5,7-8,10-11H,3,6,9,12-15H2,1-2H3,(H,21,23)
InChIKeyWYYVTMMLNKLFPZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.51
Rot. Bonds5

About N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide

N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide (PubChem CID 119159184) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
PubChem CID119159184
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccncc1)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C19H27N7O/c1-3-21-19(23-9-6-16-4-7-20-8-5-16)26-14-12-25(13-15-26)17-18(27)24(2)11-10-22-17/h4-5,7-8,10-11H,3,6,9,12-15H2,1-2H3,(H,21,23)
InChIKeyWYYVTMMLNKLFPZ-UHFFFAOYSA-N
XLogP0.51
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide 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-hydroxy-2-phenylethyl)-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153176
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide
CID 119154520
N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119154511
N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119159157
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119158924
N-ethyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207106
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119158923
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206514
N-[[3-(hydroxymethyl)phenyl]methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119159078
N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111206217
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153096
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119153099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide (CID 119159184) is N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide is CCN/C(=N\CCc1ccncc1)N1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide?
The InChIKey is WYYVTMMLNKLFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-3-21-19(23-9-6-16-4-7-20-8-5-16)26-14-12-25(13-15-26)17-18(27)24(2)11-10-22-17/h4-5,7-8,10-11H,3,6,9,12-15H2,1-2H3,(H,21,23).
What are the key properties of N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide?
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide has a molecular weight of 369.47 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 119159184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).