N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide

C23H32N4O3 — CID 111737923

IUPACN'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(Oc2ccccc2OCC)nc1)N1CCC(COC)C1
InChIInChI=1S/C23H32N4O3/c1-4-24-23(27-13-12-19(16-27)17-28-3)26-15-18-10-11-22(25-14-18)30-21-9-7-6-8-20(21)29-5-2/h6-11,14,19H,4-5,12-13,15-17H2,1-3H3,(H,24,26)
InChIKeyFRMCCDJMXQTLCP-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.71
Rot. Bonds9

About N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide

N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 111737923) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID111737923
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(Oc2ccccc2OCC)nc1)N1CCC(COC)C1
InChIInChI=1S/C23H32N4O3/c1-4-24-23(27-13-12-19(16-27)17-28-3)26-15-18-10-11-22(25-14-18)30-21-9-7-6-8-20(21)29-5-2/h6-11,14,19H,4-5,12-13,15-17H2,1-3H3,(H,24,26)
InChIKeyFRMCCDJMXQTLCP-UHFFFAOYSA-N
XLogP3.71
TPSA68.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.71
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'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)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'-[(3-ethoxyphenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111736975
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724401
N'-[(4-bromophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111978372
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747469
(3R)-N-ethyl-3-hydroxy-N'-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111550932
N'-[[4-(ethoxymethyl)phenyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736206
N-ethyl-3-(methoxymethyl)-N'-[[2-(3-methylbutoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111735737
N'-[(2-ethoxyphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111747356
N'-[[2-(ethoxymethyl)phenyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111737297
N'-[(3-chlorophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111736881
N-ethyl-3-(methoxymethyl)-N'-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735244
N-ethyl-3-(methoxymethyl)-N'-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111735257

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide (CID 111737923) is N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccc(Oc2ccccc2OCC)nc1)N1CCC(COC)C1.
What is the InChIKey of N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is FRMCCDJMXQTLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-4-24-23(27-13-12-19(16-27)17-28-3)26-15-18-10-11-22(25-14-18)30-21-9-7-6-8-20(21)29-5-2/h6-11,14,19H,4-5,12-13,15-17H2,1-3H3,(H,24,26).
What are the key properties of N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 412.53 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111737923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).