N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide

C18H21N3O2 — CID 108511400

IUPACN'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C18H21N3O2/c1-3-13-8-7-9-14(4-2)16(13)21-18(23)17(22)20-12-15-10-5-6-11-19-15/h5-11H,3-4,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWIEMUHBFANCUMV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.46
Rot. Bonds5

About N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 108511400) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID108511400
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C18H21N3O2/c1-3-13-8-7-9-14(4-2)16(13)21-18(23)17(22)20-12-15-10-5-6-11-19-15/h5-11H,3-4,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWIEMUHBFANCUMV-UHFFFAOYSA-N
XLogP2.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976686
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide
CID 166445054
2-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999251
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411
3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023219
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282986

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 108511400) is N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide is CCc1cccc(CC)c1NC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is WIEMUHBFANCUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-13-8-7-9-14(4-2)16(13)21-18(23)17(22)20-12-15-10-5-6-11-19-15/h5-11H,3-4,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 311.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 108511400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).