N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide

C14H11Cl2N3O2 — CID 2818710

IUPACN'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-10-3-4-12(11(16)6-10)19-14(21)13(20)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyOVNMNXKDKUAIFZ-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.64
Rot. Bonds3

About N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide

N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 2818710) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID2818710
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-10-3-4-12(11(16)6-10)19-14(21)13(20)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyOVNMNXKDKUAIFZ-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-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963626
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)oxamide
CID 86919834
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506700
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208230

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide (CID 2818710) is N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is OVNMNXKDKUAIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-10-3-4-12(11(16)6-10)19-14(21)13(20)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(2,4-dichlorophenyl)-N-(pyridin-3-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'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 2818710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).