N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide

C22H30N4O2 — CID 111724401

IUPACN-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(OCCOC)nc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H30N4O2/c1-3-23-22(26-12-11-20(17-26)19-7-5-4-6-8-19)25-16-18-9-10-21(24-15-18)28-14-13-27-2/h4-10,15,20H,3,11-14,16-17H2,1-2H3,(H,23,25)
InChIKeyIRYBDMYWUMLPSF-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.06
Rot. Bonds8

About N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide

N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 111724401) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
PubChem CID111724401
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(OCCOC)nc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H30N4O2/c1-3-23-22(26-12-11-20(17-26)19-7-5-4-6-8-19)25-16-18-9-10-21(24-15-18)28-14-13-27-2/h4-10,15,20H,3,11-14,16-17H2,1-2H3,(H,23,25)
InChIKeyIRYBDMYWUMLPSF-UHFFFAOYSA-N
XLogP3.06
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111732303
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723247
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128774
(3R)-N-ethyl-3-hydroxy-N'-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111549822
N-ethyl-N'-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724175
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744333
(3R)-N-ethyl-3-hydroxy-N'-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111550932
N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111737923
N-ethyl-3-[[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]methyl]benzamide
CID 111723799
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747469
N'-[(4-cyanophenyl)methyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723386
N-ethyl-3-phenyl-N'-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111722820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide (CID 111724401) is N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccc(OCCOC)nc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is IRYBDMYWUMLPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-23-22(26-12-11-20(17-26)19-7-5-4-6-8-19)25-16-18-9-10-21(24-15-18)28-14-13-27-2/h4-10,15,20H,3,11-14,16-17H2,1-2H3,(H,23,25).
What are the key properties of N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide?
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 382.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111724401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).