2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine

C21H22N4O — CID 54238051

IUPAC2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine
SMILESCON/C(=N\Cc1ccccc1)Nc1ncccc1Cc1ccccc1
InChIInChI=1S/C21H22N4O/c1-26-25-21(23-16-18-11-6-3-7-12-18)24-20-19(13-8-14-22-20)15-17-9-4-2-5-10-17/h2-14H,15-16H2,1H3,(H2,22,23,24,25)
InChIKeyQNZFANVLQCDUPB-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.79
Rot. Bonds6

About 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine

2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine (PubChem CID 54238051) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine.

Molecular Properties

Compound Name2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine
PubChem CID54238051
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine
SMILESCON/C(=N\Cc1ccccc1)Nc1ncccc1Cc1ccccc1
InChIInChI=1S/C21H22N4O/c1-26-25-21(23-16-18-11-6-3-7-12-18)24-20-19(13-8-14-22-20)15-17-9-4-2-5-10-17/h2-14H,15-16H2,1H3,(H2,22,23,24,25)
InChIKeyQNZFANVLQCDUPB-UHFFFAOYSA-N
XLogP3.79
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.79
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-benzyl-2-pyridinyl)thiourea
CID 54298888
(Z)-but-2-enedioic acid;2-[(4-cyanophenyl)methyl]-1-[3-[(4-methoxyphenyl)methyl]-2-pyridinyl]guanidine
CID 67840257
N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine
CID 116516182
[3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea
CID 175789728
3-benzyl-2-chloropyridine
CID 22768075
1-ethyl-3-[(2-methoxy-3-pyridinyl)methyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111243377
3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111131710
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
2-benzyl-1-ethyl-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine
CID 110953064

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine?
The IUPAC name of 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine (CID 54238051) is 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine.
What is the SMILES notation for 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine?
The canonical SMILES for 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine is CON/C(=N\Cc1ccccc1)Nc1ncccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine?
The InChIKey is QNZFANVLQCDUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-26-25-21(23-16-18-11-6-3-7-12-18)24-20-19(13-8-14-22-20)15-17-9-4-2-5-10-17/h2-14H,15-16H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine?
2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine has a molecular weight of 346.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine is sourced from PubChem (CID 54238051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).