1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine

C15H20N4O — CID 120671931

IUPAC1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
SMILESCCc1ccnc(CN/C(=N/C)NCc2ccco2)c1
InChIInChI=1S/C15H20N4O/c1-3-12-6-7-17-13(9-12)10-18-15(16-2)19-11-14-5-4-8-20-14/h4-9H,3,10-11H2,1-2H3,(H2,16,18,19)
InChIKeyRLRWICAJGDWMJY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.10
Rot. Bonds5

About 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine

1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine (PubChem CID 120671931) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
PubChem CID120671931
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
SMILESCCc1ccnc(CN/C(=N/C)NCc2ccco2)c1
InChIInChI=1S/C15H20N4O/c1-3-12-6-7-17-13(9-12)10-18-15(16-2)19-11-14-5-4-8-20-14/h4-9H,3,10-11H2,1-2H3,(H2,16,18,19)
InChIKeyRLRWICAJGDWMJY-UHFFFAOYSA-N
XLogP2.10
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(furan-2-ylmethyl)-2-methyl-3-(pyridazin-3-ylmethyl)guanidine;hydroiodide
CID 120580517
1-(furan-2-ylmethyl)-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 56801268
1-(furan-2-ylmethyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111751892
1-(furan-2-ylmethyl)-3-[(3-methoxy-4-propoxyphenyl)methyl]-2-methylguanidine
CID 110933741
1-(furan-2-ylmethyl)-2-methyl-3-[(2,3,5,6-tetrafluorophenyl)methyl]guanidine;hydroiodide
CID 86778612
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 109394184
1-(furan-2-ylmethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine
CID 110934323
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 110935023
1-(furan-2-ylmethyl)-2-methyl-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111464885
1-(furan-2-ylmethyl)-2-methyl-3-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110934615
1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110991138
methyl 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 110934897

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine?
The IUPAC name of 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine (CID 120671931) is 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine?
The canonical SMILES for 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine is CCc1ccnc(CN/C(=N/C)NCc2ccco2)c1.
What is the InChIKey of 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine?
The InChIKey is RLRWICAJGDWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12-6-7-17-13(9-12)10-18-15(16-2)19-11-14-5-4-8-20-14/h4-9H,3,10-11H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine?
1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine has a molecular weight of 272.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine is sourced from PubChem (CID 120671931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).