N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

C18H19N3O3 — CID 108985626

IUPACN-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H19N3O3/c1-13(22)15-4-3-5-16(12-15)20-17(23)18(24)21(2)11-8-14-6-9-19-10-7-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,23)
InChIKeyNZGPQMOXNBONMQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.92
Rot. Bonds5

About N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108985626) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108985626
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H19N3O3/c1-13(22)15-4-3-5-16(12-15)20-17(23)18(24)21(2)11-8-14-6-9-19-10-7-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,23)
InChIKeyNZGPQMOXNBONMQ-UHFFFAOYSA-N
XLogP1.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026236
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985659
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985602
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
CID 108984689
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055552
N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985621
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985607
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108983935
N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964579

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108985626) is N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is CC(=O)c1cccc(NC(=O)C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is NZGPQMOXNBONMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(22)15-4-3-5-16(12-15)20-17(23)18(24)21(2)11-8-14-6-9-19-10-7-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 325.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108985626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).