2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine

C24H27N5O2 — CID 111598422

IUPAC2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine
SMILESCC1CN(c2ccc(C/N=C(\N)Nc3cccc(Oc4ccccc4)c3)cn2)CCO1
InChIInChI=1S/C24H27N5O2/c1-18-17-29(12-13-30-18)23-11-10-19(15-26-23)16-27-24(25)28-20-6-5-9-22(14-20)31-21-7-3-2-4-8-21/h2-11,14-15,18H,12-13,16-17H2,1H3,(H3,25,27,28)
InChIKeyIZNSTNRVMPDSBQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.03
Rot. Bonds6

About 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine

2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine (PubChem CID 111598422) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine
PubChem CID111598422
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine
SMILESCC1CN(c2ccc(C/N=C(\N)Nc3cccc(Oc4ccccc4)c3)cn2)CCO1
InChIInChI=1S/C24H27N5O2/c1-18-17-29(12-13-30-18)23-11-10-19(15-26-23)16-27-24(25)28-20-6-5-9-22(14-20)31-21-7-3-2-4-8-21/h2-11,14-15,18H,12-13,16-17H2,1H3,(H3,25,27,28)
InChIKeyIZNSTNRVMPDSBQ-UHFFFAOYSA-N
XLogP4.03
TPSA85.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111049255
1-(3,4-dimethylphenyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049280
1-(3,5-dimethylphenyl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049272
1-(2,3-dihydro-1H-inden-5-yl)-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111049317
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111049301
1-(3-methoxyphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048806
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111049342
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111049273
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine
CID 111049276
N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119118397
3-benzyl-1,1-dimethyl-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111049353
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine (CID 111598422) is 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine is CC1CN(c2ccc(C/N=C(\N)Nc3cccc(Oc4ccccc4)c3)cn2)CCO1.
What is the InChIKey of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine?
The InChIKey is IZNSTNRVMPDSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-17-29(12-13-30-18)23-11-10-19(15-26-23)16-27-24(25)28-20-6-5-9-22(14-20)31-21-7-3-2-4-8-21/h2-11,14-15,18H,12-13,16-17H2,1H3,(H3,25,27,28).
What are the key properties of 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine?
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine has a molecular weight of 417.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 111598422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).