N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide

C16H17N3O2 — CID 3114033

IUPACN'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H17N3O2/c1-11-5-6-12(2)14(8-11)19-16(21)15(20)18-10-13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWXTSGHWWUGQUBH-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.95
Rot. Bonds3

About N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide

N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 3114033) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID3114033
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H17N3O2/c1-11-5-6-12(2)14(8-11)19-16(21)15(20)18-10-13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWXTSGHWWUGQUBH-UHFFFAOYSA-N
XLogP1.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.95
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-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506700
N'-(2-bromo-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 75435023
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108500421
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide (CID 3114033) is N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)NCc2cccnc2)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is WXTSGHWWUGQUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-5-6-12(2)14(8-11)19-16(21)15(20)18-10-13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3114033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).