N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide

C16H17N3O2 — CID 108526043

IUPACN'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
SMILESCCN(C(=O)C(=O)Nc1cccnc1)c1cccc(C)c1
InChIInChI=1S/C16H17N3O2/c1-3-19(14-8-4-6-12(2)10-14)16(21)15(20)18-13-7-5-9-17-11-13/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyFWXXMRRILIBNOG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.38
Rot. Bonds3

About N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide

N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide (PubChem CID 108526043) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
PubChem CID108526043
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
SMILESCCN(C(=O)C(=O)Nc1cccnc1)c1cccc(C)c1
InChIInChI=1S/C16H17N3O2/c1-3-19(14-8-4-6-12(2)10-14)16(21)15(20)18-13-7-5-9-17-11-13/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyFWXXMRRILIBNOG-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
CID 108513389
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108529447
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide (CID 108526043) is N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide is CCN(C(=O)C(=O)Nc1cccnc1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide?
The InChIKey is FWXXMRRILIBNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-19(14-8-4-6-12(2)10-14)16(21)15(20)18-13-7-5-9-17-11-13/h4-11H,3H2,1-2H3,(H,18,20).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide?
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide has a molecular weight of 283.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide is sourced from PubChem (CID 108526043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).