2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine

C17H22N4O2 — CID 111087443

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C17H22N4O2/c1-11-9-19-14(12(2)16(11)23-4)10-20-17(18)21-13-7-5-6-8-15(13)22-3/h5-9H,10H2,1-4H3,(H3,18,20,21)
InChIKeyBSEFHCLSPAZWSH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.64
Rot. Bonds5

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111087443) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111087443
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C17H22N4O2/c1-11-9-19-14(12(2)16(11)23-4)10-20-17(18)21-13-7-5-6-8-15(13)22-3/h5-9H,10H2,1-4H3,(H3,18,20,21)
InChIKeyBSEFHCLSPAZWSH-UHFFFAOYSA-N
XLogP2.64
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.64
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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylguanidine;hydroiodide
CID 110917067
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111087460
2-(isoquinolin-1-ylmethyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111039294
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 111087456
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine
CID 111087513
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111809136
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809135
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
1-(2-methoxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111802603
1-(2-methoxyphenyl)-2-prop-2-ynylguanidine
CID 111031544

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine (CID 111087443) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine is COc1ccccc1N/C(N)=N/Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is BSEFHCLSPAZWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-9-19-14(12(2)16(11)23-4)10-20-17(18)21-13-7-5-6-8-15(13)22-3/h5-9H,10H2,1-4H3,(H3,18,20,21).
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 314.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111087443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).