2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine

C20H23N5O2 — CID 111810662

IUPAC2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCCCN1C(=O)c2ccccc2C1=O)NCCc1ccccn1
InChIInChI=1S/C20H23N5O2/c21-20(24-13-10-15-7-3-4-11-22-15)23-12-5-6-14-25-18(26)16-8-1-2-9-17(16)19(25)27/h1-4,7-9,11H,5-6,10,12-14H2,(H3,21,23,24)
InChIKeyBAEONPIDDJKAEG-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.60
Rot. Bonds8

About 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111810662) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111810662
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CCCCN1C(=O)c2ccccc2C1=O)NCCc1ccccn1
InChIInChI=1S/C20H23N5O2/c21-20(24-13-10-15-7-3-4-11-22-15)23-12-5-6-14-25-18(26)16-8-1-2-9-17(16)19(25)27/h1-4,7-9,11H,5-6,10,12-14H2,(H3,21,23,24)
InChIKeyBAEONPIDDJKAEG-UHFFFAOYSA-N
XLogP1.60
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.60
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111828408
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111023101
2-[4-(4-phenylpiperazin-1-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111061951
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-propylguanidine
CID 111810690
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111030155
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111810662) is 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\CCCCN1C(=O)c2ccccc2C1=O)NCCc1ccccn1.
What is the InChIKey of 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is BAEONPIDDJKAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c21-20(24-13-10-15-7-3-4-11-22-15)23-12-5-6-14-25-18(26)16-8-1-2-9-17(16)19(25)27/h1-4,7-9,11H,5-6,10,12-14H2,(H3,21,23,24).
What are the key properties of 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 365.44 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111810662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).