3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide

C19H32N4O3 — CID 111746499

IUPAC3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCCCn1ccccc1=O)N1CCC(COCCOC)C1
InChIInChI=1S/C19H32N4O3/c1-20-19(23-12-8-17(15-23)16-26-14-13-25-2)21-9-4-6-11-22-10-5-3-7-18(22)24/h3,5,7,10,17H,4,6,8-9,11-16H2,1-2H3,(H,20,21)
InChIKeyNNWZNGLKNNDQIO-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.19
Rot. Bonds10

About 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide

3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide (PubChem CID 111746499) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide
PubChem CID111746499
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCCCn1ccccc1=O)N1CCC(COCCOC)C1
InChIInChI=1S/C19H32N4O3/c1-20-19(23-12-8-17(15-23)16-26-14-13-25-2)21-9-4-6-11-22-10-5-3-7-18(22)24/h3,5,7,10,17H,4,6,8-9,11-16H2,1-2H3,(H,20,21)
InChIKeyNNWZNGLKNNDQIO-UHFFFAOYSA-N
XLogP1.19
TPSA68.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.19
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-[4-(2-methoxyethoxy)butyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111745993
3-(2-methoxyethoxymethyl)-N'-methyl-N-(4-phenylmethoxybutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748026
N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
CID 111210589
N-[3-(benzimidazol-1-yl)propyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111746798
3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745506
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111391148
3-(2-methoxyethoxymethyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111747201
methyl 6-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 111748337
3-benzyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725147
ethyl 1-[N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]carbamimidoyl]piperidine-3-carboxylate
CID 110993347
N-[2-(2-chlorophenyl)ethyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111748308
N-[3-(4-chlorophenyl)propyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111748015

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide (CID 111746499) is 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide is C/N=C(\NCCCCn1ccccc1=O)N1CCC(COCCOC)C1.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide?
The InChIKey is NNWZNGLKNNDQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-20-19(23-12-8-17(15-23)16-26-14-13-25-2)21-9-4-6-11-22-10-5-3-7-18(22)24/h3,5,7,10,17H,4,6,8-9,11-16H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide?
3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide has a molecular weight of 364.49 g/mol, XLogP of 1.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111746499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).