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

C16H20N4O — CID 120605998

IUPAC2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
SMILESCCn1cccc(C/N=C(\N)Nc2cccc(C)c2)c1=O
InChIInChI=1S/C16H20N4O/c1-3-20-9-5-7-13(15(20)21)11-18-16(17)19-14-8-4-6-12(2)10-14/h4-10H,3,11H2,1-2H3,(H3,17,18,19)
InChIKeyKQNKZHBFXZZEQW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.10
Rot. Bonds4

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

2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine (PubChem CID 120605998) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
PubChem CID120605998
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
SMILESCCn1cccc(C/N=C(\N)Nc2cccc(C)c2)c1=O
InChIInChI=1S/C16H20N4O/c1-3-20-9-5-7-13(15(20)21)11-18-16(17)19-14-8-4-6-12(2)10-14/h4-10H,3,11H2,1-2H3,(H3,17,18,19)
InChIKeyKQNKZHBFXZZEQW-UHFFFAOYSA-N
XLogP2.10
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.10
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-(3,5-dimethylphenyl)-2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]guanidine
CID 120605996
2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 120606012
1-(3-chloro-4-methoxyphenyl)-2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]guanidine;hydroiodide
CID 120605979
1-(3-methylphenyl)-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036631
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
CID 111050604
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 120602879
1-(3-methylphenyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045993
2-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)guanidine
CID 111024200
1-(3-methylphenyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111052104
2-butyl-1-(3-methylphenyl)guanidine;hydroiodide
CID 111023150
2-hexyl-1-(3-methylphenyl)guanidine
CID 111023793

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine (CID 120605998) is 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine is CCn1cccc(C/N=C(\N)Nc2cccc(C)c2)c1=O.
What is the InChIKey of 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine?
The InChIKey is KQNKZHBFXZZEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-20-9-5-7-13(15(20)21)11-18-16(17)19-14-8-4-6-12(2)10-14/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-methylphenyl)guanidine?
2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine has a molecular weight of 284.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 120605998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).