2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine

C16H20N4O2 — CID 120606012

IUPAC2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine
SMILESCCn1cccc(C/N=C(\N)Nc2cccc(OC)c2)c1=O
InChIInChI=1S/C16H20N4O2/c1-3-20-9-5-6-12(15(20)21)11-18-16(17)19-13-7-4-8-14(10-13)22-2/h4-10H,3,11H2,1-2H3,(H3,17,18,19)
InChIKeySGIKSEFKNOZFDZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.80
Rot. Bonds5

About 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine

2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine (PubChem CID 120606012) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine
PubChem CID120606012
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine
SMILESCCn1cccc(C/N=C(\N)Nc2cccc(OC)c2)c1=O
InChIInChI=1S/C16H20N4O2/c1-3-20-9-5-6-12(15(20)21)11-18-16(17)19-13-7-4-8-14(10-13)22-2/h4-10H,3,11H2,1-2H3,(H3,17,18,19)
InChIKeySGIKSEFKNOZFDZ-UHFFFAOYSA-N
XLogP1.80
TPSA81.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.80
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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Related Compounds

2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
CID 120605998
1-(3-chloro-4-methoxyphenyl)-2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]guanidine;hydroiodide
CID 120605979
1-(3,5-dimethylphenyl)-2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]guanidine
CID 120605996
2-[(2-ethoxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111044251
2-[[2-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111053898
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 107017585
1-(3-methoxyphenyl)-2-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111076988
1-(3-methoxyphenyl)-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111036630
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111813337
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
2-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111083964

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine (CID 120606012) is 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine is CCn1cccc(C/N=C(\N)Nc2cccc(OC)c2)c1=O.
What is the InChIKey of 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine?
The InChIKey is SGIKSEFKNOZFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-20-9-5-6-12(15(20)21)11-18-16(17)19-13-7-4-8-14(10-13)22-2/h4-10H,3,11H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine?
2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine has a molecular weight of 300.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 120606012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).