1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine

C19H26N4O — CID 110950800

IUPAC1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine
SMILESC/N=C(/NCc1ncc(C)c(OC)c1C)N(C)Cc1ccccc1
InChIInChI=1S/C19H26N4O/c1-14-11-21-17(15(2)18(14)24-5)12-22-19(20-3)23(4)13-16-9-7-6-8-10-16/h6-11H,12-13H2,1-5H3,(H,20,22)
InChIKeyDGWSFEAFNNQWMK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.91
Rot. Bonds5

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

1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine (PubChem CID 110950800) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine
PubChem CID110950800
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine
SMILESC/N=C(/NCc1ncc(C)c(OC)c1C)N(C)Cc1ccccc1
InChIInChI=1S/C19H26N4O/c1-14-11-21-17(15(2)18(14)24-5)12-22-19(20-3)23(4)13-16-9-7-6-8-10-16/h6-11H,12-13H2,1-5H3,(H,20,22)
InChIKeyDGWSFEAFNNQWMK-UHFFFAOYSA-N
XLogP2.91
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1-dimethylguanidine
CID 111087541
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111172215
1-[(2-ethylphenyl)methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111636280
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182695
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111892895
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111686405
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
CID 63011439
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939412
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111170283
1-benzyl-3-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 110951200
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111583873
1-benzyl-3-[(2-ethoxy-3-pyridinyl)methyl]-1,2-dimethylguanidine
CID 110950380

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine?
The IUPAC name of 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine (CID 110950800) is 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine is C/N=C(/NCc1ncc(C)c(OC)c1C)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine?
The InChIKey is DGWSFEAFNNQWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-11-21-17(15(2)18(14)24-5)12-22-19(20-3)23(4)13-16-9-7-6-8-10-16/h6-11H,12-13H2,1-5H3,(H,20,22).
What are the key properties of 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine?
1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine has a molecular weight of 326.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2-dimethylguanidine is sourced from PubChem (CID 110950800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).