N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide

C23H33N7 — CID 111723605

IUPACN-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN1CCN(c2ncccn2)CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C23H33N7/c1-2-24-22(30-13-9-21(19-30)20-7-4-3-5-8-20)27-12-14-28-15-17-29(18-16-28)23-25-10-6-11-26-23/h3-8,10-11,21H,2,9,12-19H2,1H3,(H,24,27)
InChIKeyJZNQZMDZZGSZIL-UHFFFAOYSA-N
MW407.57 g/mol
LogP2.05
Rot. Bonds6

About N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide

N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 111723605) has the molecular formula C23H33N7 and a molecular weight of 407.57 g/mol. Its IUPAC name is N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID111723605
Molecular FormulaC23H33N7
Molecular Weight407.57 g/mol
Exact Mass407.28
IUPAC NameN-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN1CCN(c2ncccn2)CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C23H33N7/c1-2-24-22(30-13-9-21(19-30)20-7-4-3-5-8-20)27-12-14-28-15-17-29(18-16-28)23-25-10-6-11-26-23/h3-8,10-11,21H,2,9,12-19H2,1H3,(H,24,27)
InChIKeyJZNQZMDZZGSZIL-UHFFFAOYSA-N
XLogP2.05
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-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'-methyl-3-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111722748
N'-methyl-3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111723831
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111743460
3-benzyl-N-ethyl-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111725647
N-ethyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144719
N-ethyl-3-methyl-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111144704
N-ethyl-3-methyl-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111144703
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N-ethyl-N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724218
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
CID 111722793
N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide (CID 111723605) is N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CCN1CCN(c2ncccn2)CC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is JZNQZMDZZGSZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7/c1-2-24-22(30-13-9-21(19-30)20-7-4-3-5-8-20)27-12-14-28-15-17-29(18-16-28)23-25-10-6-11-26-23/h3-8,10-11,21H,2,9,12-19H2,1H3,(H,24,27).
What are the key properties of N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide?
N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 407.57 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111723605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).