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

C14H11Cl2N3O2 — CID 108502784

IUPACN'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-9-4-5-12(11(16)7-9)19-14(21)13(20)18-8-10-3-1-2-6-17-10/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyXZIIGWZYVZFJEM-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.64
Rot. Bonds3

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

N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 108502784) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID108502784
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-9-4-5-12(11(16)7-9)19-14(21)13(20)18-8-10-3-1-2-6-17-10/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyXZIIGWZYVZFJEM-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

1-N-(2,4-dichlorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136999
2-(2,4-dichloroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999324
N'-(2-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518419
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
N-(2,4-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120780
N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329721
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370820
5-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 1093842

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 108502784) is N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is XZIIGWZYVZFJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-9-4-5-12(11(16)7-9)19-14(21)13(20)18-8-10-3-1-2-6-17-10/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(2,4-dichlorophenyl)-N-(pyridin-2-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-2-ylmethyl)oxamide is sourced from PubChem (CID 108502784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).