1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine

C15H18N4O2 — CID 111023354

IUPAC1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cccnc2)cc1OC
InChIInChI=1S/C15H18N4O2/c1-20-13-6-5-12(8-14(13)21-2)19-15(16)18-10-11-4-3-7-17-9-11/h3-9H,10H2,1-2H3,(H3,16,18,19)
InChIKeyFYPOFEPJAMAWRJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.03
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine

1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine (PubChem CID 111023354) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
PubChem CID111023354
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cccnc2)cc1OC
InChIInChI=1S/C15H18N4O2/c1-20-13-6-5-12(8-14(13)21-2)19-15(16)18-10-11-4-3-7-17-9-11/h3-9H,10H2,1-2H3,(H3,16,18,19)
InChIKeyFYPOFEPJAMAWRJ-UHFFFAOYSA-N
XLogP2.03
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.03
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

1-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)guanidine
CID 111023378
1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023341
1-(3,4-dimethoxyphenyl)-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111061059
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
1-(3,4-dimethoxyphenyl)-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine
CID 111096255
1-(3,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808554
1-(3,4-dimethoxyphenyl)-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 111096254
2-[(4-tert-butylphenyl)methyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111045467
tert-butyl N-[3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]propyl]-N-(pyridin-3-ylmethyl)carbamate
CID 111066221
1-(2,5-diethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
CID 111023388
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111083112
1-(3-chloro-4-methoxyphenyl)-2-[(3-chlorophenyl)methyl]guanidine
CID 111024246

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine (CID 111023354) is 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine is COc1ccc(N/C(N)=N/Cc2cccnc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine?
The InChIKey is FYPOFEPJAMAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-20-13-6-5-12(8-14(13)21-2)19-15(16)18-10-11-4-3-7-17-9-11/h3-9H,10H2,1-2H3,(H3,16,18,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine?
1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine has a molecular weight of 286.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 111023354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).