2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine

C17H23ClN4O2 — CID 111398447

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1ccc(Cl)nc1)NCCCOCc1ccco1
InChIInChI=1S/C17H23ClN4O2/c1-2-19-17(22-12-14-6-7-16(18)21-11-14)20-8-4-9-23-13-15-5-3-10-24-15/h3,5-7,10-11H,2,4,8-9,12-13H2,1H3,(H2,19,20,22)
InChIKeyZWRVYOJXXMVYFK-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.99
Rot. Bonds9

About 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine

2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine (PubChem CID 111398447) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
PubChem CID111398447
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1ccc(Cl)nc1)NCCCOCc1ccco1
InChIInChI=1S/C17H23ClN4O2/c1-2-19-17(22-12-14-6-7-16(18)21-11-14)20-8-4-9-23-13-15-5-3-10-24-15/h3,5-7,10-11H,2,4,8-9,12-13H2,1H3,(H2,19,20,22)
InChIKeyZWRVYOJXXMVYFK-UHFFFAOYSA-N
XLogP2.99
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938717
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399790
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111398843
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(3-hydroxyphenyl)methyl]guanidine
CID 111399519
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111399994
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111797692
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111797691
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111250472
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111399122
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111398487
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111399612
N-[4-[[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111399338

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine (CID 111398447) is 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine is CCN/C(=N\Cc1ccc(Cl)nc1)NCCCOCc1ccco1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The InChIKey is ZWRVYOJXXMVYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-2-19-17(22-12-14-6-7-16(18)21-11-14)20-8-4-9-23-13-15-5-3-10-24-15/h3,5-7,10-11H,2,4,8-9,12-13H2,1H3,(H2,19,20,22).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine has a molecular weight of 350.85 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111398447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).