1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine

C19H25N5O — CID 110026909

IUPAC1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
SMILESCOc1cccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)c1
InChIInChI=1S/C19H25N5O/c1-14-8-9-15(18(22-14)24-10-3-4-11-24)13-21-19(20)23-16-6-5-7-17(12-16)25-2/h5-9,12H,3-4,10-11,13H2,1-2H3,(H3,20,21,23)
InChIKeyHEOGVIPDOMILGH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.93
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine

1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine (PubChem CID 110026909) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
PubChem CID110026909
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
SMILESCOc1cccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)c1
InChIInChI=1S/C19H25N5O/c1-14-8-9-15(18(22-14)24-10-3-4-11-24)13-21-19(20)23-16-6-5-7-17(12-16)25-2/h5-9,12H,3-4,10-11,13H2,1-2H3,(H3,20,21,23)
InChIKeyHEOGVIPDOMILGH-UHFFFAOYSA-N
XLogP2.93
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.93
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'}

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Related Compounds

2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110026806
1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026873
1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110026898
1-(3-methoxyphenyl)-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111036630
1-(3-methoxyphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048806
1-(3-methoxyphenyl)-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047150
2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110026892
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111087103
2-[(3,4-dimethoxyphenyl)methyl]-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026821
1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110026902
N-[3-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 111076600
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine (CID 110026909) is 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine is COc1cccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is HEOGVIPDOMILGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-8-9-15(18(22-14)24-10-3-4-11-24)13-21-19(20)23-16-6-5-7-17(12-16)25-2/h5-9,12H,3-4,10-11,13H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 339.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 110026909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).