1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine

C19H32N4OS — CID 111528667

IUPAC1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine
SMILESCCN/C(=N\CCCCn1c(C)cccc1=O)NC1CCC(SC)C1
InChIInChI=1S/C19H32N4OS/c1-4-20-19(22-16-10-11-17(14-16)25-3)21-12-5-6-13-23-15(2)8-7-9-18(23)24/h7-9,16-17H,4-6,10-14H2,1-3H3,(H2,20,21,22)
InChIKeyYVAOPCJBQVSPHN-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.78
Rot. Bonds8

About 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine

1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine (PubChem CID 111528667) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine
PubChem CID111528667
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine
SMILESCCN/C(=N\CCCCn1c(C)cccc1=O)NC1CCC(SC)C1
InChIInChI=1S/C19H32N4OS/c1-4-20-19(22-16-10-11-17(14-16)25-3)21-12-5-6-13-23-15(2)8-7-9-18(23)24/h7-9,16-17H,4-6,10-14H2,1-3H3,(H2,20,21,22)
InChIKeyYVAOPCJBQVSPHN-UHFFFAOYSA-N
XLogP2.78
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-cyclopentyl-3-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 110991538
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111528214
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111529295
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111529300
1-butyl-3-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111150897
1-ethyl-2-[(3-methylphenyl)methyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530651
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530688
1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530294
1-ethyl-3-heptan-2-yl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 111195984
N-[2-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111528267
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(2-phenoxyethyl)guanidine
CID 111529147
1-ethyl-3-(1-methoxypropan-2-yl)-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111237852

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine?
The IUPAC name of 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine (CID 111528667) is 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine?
The canonical SMILES for 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine is CCN/C(=N\CCCCn1c(C)cccc1=O)NC1CCC(SC)C1.
What is the InChIKey of 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine?
The InChIKey is YVAOPCJBQVSPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-4-20-19(22-16-10-11-17(14-16)25-3)21-12-5-6-13-23-15(2)8-7-9-18(23)24/h7-9,16-17H,4-6,10-14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine?
1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine has a molecular weight of 364.56 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine is sourced from PubChem (CID 111528667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).