1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine

C20H33N5O — CID 111919197

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
SMILESC/N=C(\NCCCCn1ccccc1=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C20H33N5O/c1-21-20(22-12-5-7-14-24-13-6-4-10-19(24)26)23-17-11-15-25(16-17)18-8-2-3-9-18/h4,6,10,13,17-18H,2-3,5,7-9,11-12,14-16H2,1H3,(H2,21,22,23)
InChIKeyJJMCRMNTZGTFCT-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.81
Rot. Bonds7

About 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine (PubChem CID 111919197) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
PubChem CID111919197
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
SMILESC/N=C(\NCCCCn1ccccc1=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C20H33N5O/c1-21-20(22-12-5-7-14-24-13-6-4-10-19(24)26)23-17-11-15-25(16-17)18-8-2-3-9-18/h4,6,10,13,17-18H,2-3,5,7-9,11-12,14-16H2,1H3,(H2,21,22,23)
InChIKeyJJMCRMNTZGTFCT-UHFFFAOYSA-N
XLogP1.81
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.81
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

2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914972
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914971
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111919902
N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111918331
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 111920103
1-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111921738
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111918596
1-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111917252
1,2-dimethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 75526639
1-[2-(benzenesulfonamido)ethyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918333
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126471
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111918613

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine (CID 111919197) is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine is C/N=C(\NCCCCn1ccccc1=O)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?
The InChIKey is JJMCRMNTZGTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-21-20(22-12-5-7-14-24-13-6-4-10-19(24)26)23-17-11-15-25(16-17)18-8-2-3-9-18/h4,6,10,13,17-18H,2-3,5,7-9,11-12,14-16H2,1H3,(H2,21,22,23).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine has a molecular weight of 359.52 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine is sourced from PubChem (CID 111919197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).