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

C16H20N4O — CID 75532469

IUPAC2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine
SMILESCOc1nc(C)ccc1CN/C(N)=N/Cc1ccccc1
InChIInChI=1S/C16H20N4O/c1-12-8-9-14(15(20-12)21-2)11-19-16(17)18-10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H3,17,18,19)
InChIKeyZNXRKDQAPABMNO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds5

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

2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine (PubChem CID 75532469) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine
PubChem CID75532469
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine
SMILESCOc1nc(C)ccc1CN/C(N)=N/Cc1ccccc1
InChIInChI=1S/C16H20N4O/c1-12-8-9-14(15(20-12)21-2)11-19-16(17)18-10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H3,17,18,19)
InChIKeyZNXRKDQAPABMNO-UHFFFAOYSA-N
XLogP2.00
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
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'}

Analyze 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026821
2-[(3,4-dimethoxyphenyl)methyl]-1-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050577
2-benzyl-1-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
CID 131227756
2-[(3,4-dimethoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111062702
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 145435857
1,2-bis[(2-methylphenyl)methyl]guanidine
CID 19974401
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111036466
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 111911707
2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
CID 155530379
2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061
1-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)guanidine
CID 111023378

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine (CID 75532469) is 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine is COc1nc(C)ccc1CN/C(N)=N/Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine?
The InChIKey is ZNXRKDQAPABMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-8-9-14(15(20-12)21-2)11-19-16(17)18-10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine?
2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine has a molecular weight of 284.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 75532469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).