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

C24H35N7O — CID 111219781

IUPACN'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CC(C)OC(C)C2)nc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H35N7O/c1-4-25-24(30-13-11-29(12-14-30)22-7-5-6-10-26-22)28-16-21-8-9-23(27-15-21)31-17-19(2)32-20(3)18-31/h5-10,15,19-20H,4,11-14,16-18H2,1-3H3,(H,25,28)
InChIKeyYXGWYFMEMZXVNJ-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.38
Rot. Bonds5

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

N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111219781) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111219781
Molecular FormulaC24H35N7O
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC NameN'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(N2CC(C)OC(C)C2)nc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H35N7O/c1-4-25-24(30-13-11-29(12-14-30)22-7-5-6-10-26-22)28-16-21-8-9-23(27-15-21)31-17-19(2)32-20(3)18-31/h5-10,15,19-20H,4,11-14,16-18H2,1-3H3,(H,25,28)
InChIKeyYXGWYFMEMZXVNJ-UHFFFAOYSA-N
XLogP2.38
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.38
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'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide with MolForge

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Related Compounds

N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221437
(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-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740448
N-ethyl-N'-[(6-methoxy-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219682
N-ethyl-4-(2-hydroxyphenyl)-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide
CID 111186012
N-ethyl-4-phenyl-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960640
N-ethyl-4-[[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]methyl]benzamide
CID 111221135
N-ethyl-4-[[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 111221134
N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111186250
N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960785
N-ethyl-N'-[(3-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220797
N-ethyl-4-pyridin-2-yl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111220147

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111219781) is N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide is CCN/C(=N\Cc1ccc(N2CC(C)OC(C)C2)nc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is YXGWYFMEMZXVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O/c1-4-25-24(30-13-11-29(12-14-30)22-7-5-6-10-26-22)28-16-21-8-9-23(27-15-21)31-17-19(2)32-20(3)18-31/h5-10,15,19-20H,4,11-14,16-18H2,1-3H3,(H,25,28).
What are the key properties of N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 437.59 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111219781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).