1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine

C20H25N5O — CID 111913471

IUPAC1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
SMILESCCN/C(=N\Cc1cccc(C)n1)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H25N5O/c1-3-21-20(22-13-16-9-7-8-15(2)23-16)24-17-12-19(26)25(14-17)18-10-5-4-6-11-18/h4-11,17H,3,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyGYLUQFWJYOWAIX-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.25
Rot. Bonds5

About 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine

1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine (PubChem CID 111913471) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
PubChem CID111913471
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
SMILESCCN/C(=N\Cc1cccc(C)n1)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H25N5O/c1-3-21-20(22-13-16-9-7-8-15(2)23-16)24-17-12-19(26)25(14-17)18-10-5-4-6-11-18/h4-11,17H,3,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyGYLUQFWJYOWAIX-UHFFFAOYSA-N
XLogP2.25
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.25
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

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 109405377
3-[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111912751
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913349
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111993848
2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913338
1-ethyl-2-[(3-nitrophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111912940
3-[[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]methyl]benzamide
CID 111913582
4-[[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111913351
1-ethyl-3-(4-methylcyclohexyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111256685
1-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111912780
1-ethyl-2-[(2-morpholin-4-ylphenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913342
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913729

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The IUPAC name of 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine (CID 111913471) is 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine is CCN/C(=N\Cc1cccc(C)n1)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The InChIKey is GYLUQFWJYOWAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-21-20(22-13-16-9-7-8-15(2)23-16)24-17-12-19(26)25(14-17)18-10-5-4-6-11-18/h4-11,17H,3,12-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine has a molecular weight of 351.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 111913471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).