N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide

C14H11Cl2N3O2 — CID 108518293

IUPACN'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-10-2-1-3-11(16)12(10)19-14(21)13(20)18-8-9-4-6-17-7-5-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyXOLCWUPSVGYETH-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.64
Rot. Bonds3

About N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 108518293) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID108518293
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-10-2-1-3-11(16)12(10)19-14(21)13(20)18-8-9-4-6-17-7-5-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyXOLCWUPSVGYETH-UHFFFAOYSA-N
XLogP2.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 164886449
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94847411
N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3838884
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108508618
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625
N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide
CID 86995360
1-N'-(2,3-dichlorophenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977068
N'-(3-chloro-2-methylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947833
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210
N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503199

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 108518293) is N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is XOLCWUPSVGYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-10-2-1-3-11(16)12(10)19-14(21)13(20)18-8-9-4-6-17-7-5-9/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 324.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 108518293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).