1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine

C23H33N5O3 — CID 111309574

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
SMILESCCOc1ncccc1CN/C(=N\C)NCC(c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C23H33N5O3/c1-4-31-22-19(6-5-11-25-22)16-26-23(24-2)27-17-21(28-12-14-30-15-13-28)18-7-9-20(29-3)10-8-18/h5-11,21H,4,12-17H2,1-3H3,(H2,24,26,27)
InChIKeyGRIMVBHAZMHRBC-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.23
Rot. Bonds9

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine (PubChem CID 111309574) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
PubChem CID111309574
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
SMILESCCOc1ncccc1CN/C(=N\C)NCC(c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C23H33N5O3/c1-4-31-22-19(6-5-11-25-22)16-26-23(24-2)27-17-21(28-12-14-30-15-13-28)18-7-9-20(29-3)10-8-18/h5-11,21H,4,12-17H2,1-3H3,(H2,24,26,27)
InChIKeyGRIMVBHAZMHRBC-UHFFFAOYSA-N
XLogP2.23
TPSA80.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[(2-ethylphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111636734
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111291632
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111309128
1-[(4-methoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111181672
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111881096
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111309951
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111183192
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111708146
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111832819
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111218023
1-[2-(2-methoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111310040
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111309497

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine (CID 111309574) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine is CCOc1ncccc1CN/C(=N\C)NCC(c1ccc(OC)cc1)N1CCOCC1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine?
The InChIKey is GRIMVBHAZMHRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-4-31-22-19(6-5-11-25-22)16-26-23(24-2)27-17-21(28-12-14-30-15-13-28)18-7-9-20(29-3)10-8-18/h5-11,21H,4,12-17H2,1-3H3,(H2,24,26,27).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine has a molecular weight of 427.55 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine is sourced from PubChem (CID 111309574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).