N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide

C20H18ClN3O — CID 54558156

IUPACN'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide
SMILESN/C(=N\Cc1ccccc1)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H18ClN3O/c21-17-10-8-16(9-11-17)14-24-12-4-7-18(20(24)25)19(22)23-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H2,22,23)
InChIKeyZOQCECXFTBEAOX-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.46
Rot. Bonds5

About N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide

N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide (PubChem CID 54558156) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide
PubChem CID54558156
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide
SMILESN/C(=N\Cc1ccccc1)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H18ClN3O/c21-17-10-8-16(9-11-17)14-24-12-4-7-18(20(24)25)19(22)23-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H2,22,23)
InChIKeyZOQCECXFTBEAOX-UHFFFAOYSA-N
XLogP3.46
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide (CID 54558156) is N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide is N/C(=N\Cc1ccccc1)c1cccn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide?
The InChIKey is ZOQCECXFTBEAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-17-10-8-16(9-11-17)14-24-12-4-7-18(20(24)25)19(22)23-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H2,22,23).
What are the key properties of N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide?
N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide has a molecular weight of 351.84 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 54558156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).