N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide

C20H26N4O2 — CID 110983770

IUPACN-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\Cc1cccnc1OCCOC)N1CCc2ccccc21
InChIInChI=1S/C20H26N4O2/c1-3-21-20(24-12-10-16-7-4-5-9-18(16)24)23-15-17-8-6-11-22-19(17)26-14-13-25-2/h4-9,11H,3,10,12-15H2,1-2H3,(H,21,23)
InChIKeyKYMRSNYYBNCAQX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds7

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

N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983770) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110983770
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\Cc1cccnc1OCCOC)N1CCc2ccccc21
InChIInChI=1S/C20H26N4O2/c1-3-21-20(24-12-10-16-7-4-5-9-18(16)24)23-15-17-8-6-11-22-19(17)26-14-13-25-2/h4-9,11H,3,10,12-15H2,1-2H3,(H,21,23)
InChIKeyKYMRSNYYBNCAQX-UHFFFAOYSA-N
XLogP2.63
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
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'-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983384
4-benzyl-N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]piperazine-1-carboximidamide
CID 110959703
N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111144450
methyl 1-[N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254680
4-acetyl-N-ethyl-N'-[(2-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962600
N-ethyl-4-(4-fluorophenyl)-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111165228
4-acetyl-N'-[(2-butoxy-3-pyridinyl)methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962602
N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201
N-ethyl-N'-(1H-pyrazol-5-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985025
N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide
CID 111291029
N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 110984746
N-ethyl-N'-(isoquinolin-1-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide (CID 110983770) is N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\Cc1cccnc1OCCOC)N1CCc2ccccc21.
What is the InChIKey of N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is KYMRSNYYBNCAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-21-20(24-12-10-16-7-4-5-9-18(16)24)23-15-17-8-6-11-22-19(17)26-14-13-25-2/h4-9,11H,3,10,12-15H2,1-2H3,(H,21,23).
What are the key properties of N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide?
N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 354.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).