N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

C20H34N4O3 — CID 111746687

IUPACN-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ncc(C)c(OC)c1C)N1CCC(COCCOC)C1
InChIInChI=1S/C20H34N4O3/c1-6-21-20(24-8-7-17(13-24)14-27-10-9-25-4)23-12-18-16(3)19(26-5)15(2)11-22-18/h11,17H,6-10,12-14H2,1-5H3,(H,21,23)
InChIKeyXYNRCUZJOJWXEO-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.16
Rot. Bonds9

About N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 111746687) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID111746687
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ncc(C)c(OC)c1C)N1CCC(COCCOC)C1
InChIInChI=1S/C20H34N4O3/c1-6-21-20(24-8-7-17(13-24)14-27-10-9-25-4)23-12-18-16(3)19(26-5)15(2)11-22-18/h11,17H,6-10,12-14H2,1-5H3,(H,21,23)
InChIKeyXYNRCUZJOJWXEO-UHFFFAOYSA-N
XLogP2.16
TPSA68.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743244
N'-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111746112
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111745777
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746722
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111747885
N'-[(2,4-dimethylphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748587
N'-[(2-ethoxyphenyl)methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111747356
N'-[[6-(diethylamino)-3-pyridinyl]methyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111747904
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111747795
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747469
N-ethyl-4-[[[ethylamino-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111747539
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[3-(methoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111745845

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide (CID 111746687) is N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ncc(C)c(OC)c1C)N1CCC(COCCOC)C1.
What is the InChIKey of N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is XYNRCUZJOJWXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-6-21-20(24-8-7-17(13-24)14-27-10-9-25-4)23-12-18-16(3)19(26-5)15(2)11-22-18/h11,17H,6-10,12-14H2,1-5H3,(H,21,23).
What are the key properties of N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 378.52 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111746687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).