2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine

C17H24N4O2 — CID 111353506

IUPAC2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1OCC)NCCc1ccco1
InChIInChI=1S/C17H24N4O2/c1-3-18-17(20-11-9-15-8-6-12-23-15)21-13-14-7-5-10-19-16(14)22-4-2/h5-8,10,12H,3-4,9,11,13H2,1-2H3,(H2,18,20,21)
InChIKeyGRMRAIOOXOYLTI-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.37
Rot. Bonds8

About 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine

2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 111353506) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID111353506
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1OCC)NCCc1ccco1
InChIInChI=1S/C17H24N4O2/c1-3-18-17(20-11-9-15-8-6-12-23-15)21-13-14-7-5-10-19-16(14)22-4-2/h5-8,10,12H,3-4,9,11,13H2,1-2H3,(H2,18,20,21)
InChIKeyGRMRAIOOXOYLTI-UHFFFAOYSA-N
XLogP2.37
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111398487
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111398486
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110937484
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939194
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474282
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111556544
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111004612
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111355861
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111577649
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111588726
1-(3-ethoxy-4-methylpentyl)-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 111717425
1-[(2-chlorophenyl)methyl]-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine
CID 111175173

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine (CID 111353506) is 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine is CCN/C(=N\Cc1cccnc1OCC)NCCc1ccco1.
What is the InChIKey of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is GRMRAIOOXOYLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-18-17(20-11-9-15-8-6-12-23-15)21-13-14-7-5-10-19-16(14)22-4-2/h5-8,10,12H,3-4,9,11,13H2,1-2H3,(H2,18,20,21).
What are the key properties of 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 316.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111353506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).