1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine

C19H26N4O — CID 111659270

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
SMILESC/N=C(/NCc1cccc(OC)n1)NCC(C)c1cccc(C)c1
InChIInChI=1S/C19H26N4O/c1-14-7-5-8-16(11-14)15(2)12-21-19(20-3)22-13-17-9-6-10-18(23-17)24-4/h5-11,15H,12-13H2,1-4H3,(H2,20,21,22)
InChIKeyHHBJXUGXRDMIJW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.87
Rot. Bonds6

About 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine

1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine (PubChem CID 111659270) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
PubChem CID111659270
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
SMILESC/N=C(/NCc1cccc(OC)n1)NCC(C)c1cccc(C)c1
InChIInChI=1S/C19H26N4O/c1-14-7-5-8-16(11-14)15(2)12-21-19(20-3)22-13-17-9-6-10-18(23-17)24-4/h5-11,15H,12-13H2,1-4H3,(H2,20,21,22)
InChIKeyHHBJXUGXRDMIJW-UHFFFAOYSA-N
XLogP2.87
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111659269
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621969
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703438
1-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
CID 111659038
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111621915
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
CID 111773840
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980
1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111389574
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227678
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
CID 111659420
2-methyl-1-[2-(3-methylphenyl)propyl]-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111660001
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360710

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine (CID 111659270) is 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine is C/N=C(/NCc1cccc(OC)n1)NCC(C)c1cccc(C)c1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine?
The InChIKey is HHBJXUGXRDMIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-7-5-8-16(11-14)15(2)12-21-19(20-3)22-13-17-9-6-10-18(23-17)24-4/h5-11,15H,12-13H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine?
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine is sourced from PubChem (CID 111659270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).