N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide

C18H21N3O2 — CID 108984872

IUPACN'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
SMILESCN(CCc1ccncc1)C(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-20(13-10-15-8-11-19-12-9-15)17(22)18(23)21(2)14-16-6-4-3-5-7-16/h3-9,11-12H,10,13-14H2,1-2H3
InChIKeyJPGMYIBUVVINOU-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.74
Rot. Bonds5

About N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide

N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108984872) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
PubChem CID108984872
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
SMILESCN(CCc1ccncc1)C(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-20(13-10-15-8-11-19-12-9-15)17(22)18(23)21(2)14-16-6-4-3-5-7-16/h3-9,11-12H,10,13-14H2,1-2H3
InChIKeyJPGMYIBUVVINOU-UHFFFAOYSA-N
XLogP1.74
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 109001500
2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108984450
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide (CID 108984872) is N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide is CN(CCc1ccncc1)C(=O)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is JPGMYIBUVVINOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20(13-10-15-8-11-19-12-9-15)17(22)18(23)21(2)14-16-6-4-3-5-7-16/h3-9,11-12H,10,13-14H2,1-2H3.
What are the key properties of N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide?
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 311.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108984872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).