N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C22H36N6O2 — CID 111728111

IUPACN-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C22H36N6O2/c1-3-23-22(28-7-6-20(17-28)26-8-11-29-12-9-26)25-15-19-4-5-21(24-14-19)27-10-13-30-18(2)16-27/h4-5,14,18,20H,3,6-13,15-17H2,1-2H3,(H,23,25)
InChIKeyQOUSVYLUFLPZKS-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.18
Rot. Bonds5

About N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111728111) has the molecular formula C22H36N6O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111728111
Molecular FormulaC22H36N6O2
Molecular Weight416.57 g/mol
Exact Mass416.29
IUPAC NameN-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C22H36N6O2/c1-3-23-22(28-7-6-20(17-28)26-8-11-29-12-9-26)25-15-19-4-5-21(24-14-19)27-10-13-30-18(2)16-27/h4-5,14,18,20H,3,6-13,15-17H2,1-2H3,(H,23,25)
InChIKeyQOUSVYLUFLPZKS-UHFFFAOYSA-N
XLogP1.18
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-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-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119145054
N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742907
N-ethyl-4-(2-hydroxyphenyl)-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide
CID 111186012
N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479780
N-ethyl-4-(furan-2-carbonyl)-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111168522
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726547
N-ethyl-N'-[(4-fluorophenyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728046
(3R)-N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550647
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727713
N-ethyl-3-morpholin-4-yl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111727211
1-butyl-3-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111151814
1-ethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-prop-2-ynylguanidine
CID 111848579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111728111) is N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccc(N2CCOC(C)C2)nc1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is QOUSVYLUFLPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O2/c1-3-23-22(28-7-6-20(17-28)26-8-11-29-12-9-26)25-15-19-4-5-21(24-14-19)27-10-13-30-18(2)16-27/h4-5,14,18,20H,3,6-13,15-17H2,1-2H3,(H,23,25).
What are the key properties of N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 416.57 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111728111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).