1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine

C18H25N5O — CID 110060922

IUPAC1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine
SMILESCCN/C(=N\CCc1ccco1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C18H25N5O/c1-2-19-18(21-11-8-16-6-5-13-24-16)22-15-9-12-23(14-15)17-7-3-4-10-20-17/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3,(H2,19,21,22)
InChIKeyOQIWJMFJTKAPTA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds6

About 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine (PubChem CID 110060922) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine
PubChem CID110060922
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine
SMILESCCN/C(=N\CCc1ccco1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C18H25N5O/c1-2-19-18(21-11-8-16-6-5-13-24-16)22-15-9-12-23(14-15)17-7-3-4-10-20-17/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3,(H2,19,21,22)
InChIKeyOQIWJMFJTKAPTA-UHFFFAOYSA-N
XLogP2.05
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
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

1-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)-2-(thiophen-2-ylmethyl)guanidine
CID 110060938
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine
CID 110060946
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine
CID 110054786
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 110055715
1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 110059340
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 110055850
1-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine
CID 110054774
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]guanidine
CID 110054472
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 110054555
1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110059312
1-butan-2-yl-3-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110058667
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine
CID 110054818

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine (CID 110060922) is 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine is CCN/C(=N\CCc1ccco1)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine?
The InChIKey is OQIWJMFJTKAPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-19-18(21-11-8-16-6-5-13-24-16)22-15-9-12-23(14-15)17-7-3-4-10-20-17/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3,(H2,19,21,22).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine?
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine has a molecular weight of 327.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 110060922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).