2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine

C21H22N4O2 — CID 44533055

IUPAC2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine
SMILESCOc1ccc(Cc2nc(/N=C(\N)Nc3ccccc3)ccc2OC)cc1
InChIInChI=1S/C21H22N4O2/c1-26-17-10-8-15(9-11-17)14-18-19(27-2)12-13-20(24-18)25-21(22)23-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H3,22,23,24,25)
InChIKeyWOJURTRNDBAFTQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.75
Rot. Bonds6

About 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine

2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine (PubChem CID 44533055) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine
PubChem CID44533055
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine
SMILESCOc1ccc(Cc2nc(/N=C(\N)Nc3ccccc3)ccc2OC)cc1
InChIInChI=1S/C21H22N4O2/c1-26-17-10-8-15(9-11-17)14-18-19(27-2)12-13-20(24-18)25-21(22)23-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H3,22,23,24,25)
InChIKeyWOJURTRNDBAFTQ-UHFFFAOYSA-N
XLogP3.75
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine?
The IUPAC name of 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine (CID 44533055) is 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine.
What is the SMILES notation for 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine?
The canonical SMILES for 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine is COc1ccc(Cc2nc(/N=C(\N)Nc3ccccc3)ccc2OC)cc1.
What is the InChIKey of 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine?
The InChIKey is WOJURTRNDBAFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-26-17-10-8-15(9-11-17)14-18-19(27-2)12-13-20(24-18)25-21(22)23-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H3,22,23,24,25).
What are the key properties of 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine?
2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine has a molecular weight of 362.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine is sourced from PubChem (CID 44533055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).