1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

C19H24IN5O2 — CID 119150491

IUPAC1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccccn1)NC1CC(=O)N(c2cccc(OC)c2)C1.I
InChIInChI=1S/C19H23N5O2.HI/c1-20-19(22-12-14-6-3-4-9-21-14)23-15-10-18(25)24(13-15)16-7-5-8-17(11-16)26-2;/h3-9,11,15H,10,12-13H2,1-2H3,(H2,20,22,23);1H
InChIKeyHXHUQJIGMCXAPR-UHFFFAOYSA-N
MW481.34 g/mol
LogP2.18
Rot. Bonds5

About 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119150491) has the molecular formula C19H24IN5O2 and a molecular weight of 481.34 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID119150491
Molecular FormulaC19H24IN5O2
Molecular Weight481.34 g/mol
Exact Mass481.10
IUPAC Name1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccccn1)NC1CC(=O)N(c2cccc(OC)c2)C1.I
InChIInChI=1S/C19H23N5O2.HI/c1-20-19(22-12-14-6-3-4-9-21-14)23-15-10-18(25)24(13-15)16-7-5-8-17(11-16)26-2;/h3-9,11,15H,10,12-13H2,1-2H3,(H2,20,22,23);1H
InChIKeyHXHUQJIGMCXAPR-UHFFFAOYSA-N
XLogP2.18
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 52.18
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 119150499
1-(2-bromoprop-2-enyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylguanidine
CID 119150474
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119150503
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea
CID 16819860
1-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913393
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylguanidine
CID 119162314
1-[3-(3-methoxyphenoxy)propyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111790371
2-methyl-1-[(3-nitrophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913528
1-(isoquinolin-1-ylmethyl)-3-[1-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methylguanidine
CID 119150357

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 119150491) is 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is C/N=C(\NCc1ccccn1)NC1CC(=O)N(c2cccc(OC)c2)C1.I.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is HXHUQJIGMCXAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.HI/c1-20-19(22-12-14-6-3-4-9-21-14)23-15-10-18(25)24(13-15)16-7-5-8-17(11-16)26-2;/h3-9,11,15H,10,12-13H2,1-2H3,(H2,20,22,23);1H.
What are the key properties of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 481.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119150491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).