N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide

C21H35N5O — CID 111740448

IUPACN'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CC(C)OC(C)C2)nc1)N1CCC(C)(C)C1
InChIInChI=1S/C21H35N5O/c1-6-22-20(25-10-9-21(4,5)15-25)24-12-18-7-8-19(23-11-18)26-13-16(2)27-17(3)14-26/h7-8,11,16-17H,6,9-10,12-15H2,1-5H3,(H,22,24)
InChIKeyPDUTZDGNYDHGJO-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.89
Rot. Bonds4

About N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide

N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide (PubChem CID 111740448) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
PubChem CID111740448
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC NameN'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CC(C)OC(C)C2)nc1)N1CCC(C)(C)C1
InChIInChI=1S/C21H35N5O/c1-6-22-20(25-10-9-21(4,5)15-25)24-12-18-7-8-19(23-11-18)26-13-16(2)27-17(3)14-26/h7-8,11,16-17H,6,9-10,12-15H2,1-5H3,(H,22,24)
InChIKeyPDUTZDGNYDHGJO-UHFFFAOYSA-N
XLogP2.89
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide with MolForge

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Related Compounds

(3R)-N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550647
N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219781
1-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111151513
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
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-ethyl-3-hexylguanidine
CID 111161765
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111930762
N-ethyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955079
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895790
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187608
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
N-ethyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442785
(3R)-N-ethyl-3-hydroxy-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111551498

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide (CID 111740448) is N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccc(N2CC(C)OC(C)C2)nc1)N1CCC(C)(C)C1.
What is the InChIKey of N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The InChIKey is PDUTZDGNYDHGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-6-22-20(25-10-9-21(4,5)15-25)24-12-18-7-8-19(23-11-18)26-13-16(2)27-17(3)14-26/h7-8,11,16-17H,6,9-10,12-15H2,1-5H3,(H,22,24).
What are the key properties of N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide has a molecular weight of 373.55 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111740448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).