1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine

C22H26N4O3 — CID 111353512

IUPAC1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(Oc2ccc(OC)cc2)nc1)NCCc1ccco1
InChIInChI=1S/C22H26N4O3/c1-3-23-22(24-13-12-19-5-4-14-28-19)26-16-17-6-11-21(25-15-17)29-20-9-7-18(27-2)8-10-20/h4-11,14-15H,3,12-13,16H2,1-2H3,(H2,23,24,26)
InChIKeyYMPBSVVVBKBUGJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.77
Rot. Bonds9

About 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine (PubChem CID 111353512) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine
PubChem CID111353512
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(Oc2ccc(OC)cc2)nc1)NCCc1ccco1
InChIInChI=1S/C22H26N4O3/c1-3-23-22(24-13-12-19-5-4-14-28-19)26-16-17-6-11-21(25-15-17)29-20-9-7-18(27-2)8-10-20/h4-11,14-15H,3,12-13,16H2,1-2H3,(H2,23,24,26)
InChIKeyYMPBSVVVBKBUGJ-UHFFFAOYSA-N
XLogP3.77
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.77
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

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111353621
1-ethyl-2-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-(furan-2-ylmethyl)guanidine
CID 110937258
1-[2-(furan-2-yl)ethyl]-2,3-bis[(4-methoxyphenyl)methyl]guanidine
CID 111768977
1-[2-(furan-2-yl)ethyl]-3-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 111491358
1-ethyl-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-3-[(3-methoxyphenyl)methyl]guanidine
CID 111249833
1-ethyl-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415040
1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 111842082
1-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111842084
1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111769882
1-ethyl-3-[(3-fluorophenyl)methyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111877854
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-propylguanidine
CID 111541292
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111541053

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine (CID 111353512) is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine is CCN/C(=N\Cc1ccc(Oc2ccc(OC)cc2)nc1)NCCc1ccco1.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine?
The InChIKey is YMPBSVVVBKBUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-23-22(24-13-12-19-5-4-14-28-19)26-16-17-6-11-21(25-15-17)29-20-9-7-18(27-2)8-10-20/h4-11,14-15H,3,12-13,16H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine?
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine has a molecular weight of 394.48 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 111353512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).