2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide

C16H16N2O2 — CID 82123372

IUPAC2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(C)c(C(=O)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C16H16N2O2/c1-11-3-4-12(2)14(9-11)15(19)16(20)18-10-13-5-7-17-8-6-13/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyMYGGQTLQFQASAP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.20
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide

2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 82123372) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
PubChem CID82123372
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(C)c(C(=O)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C16H16N2O2/c1-11-3-4-12(2)14(9-11)15(19)16(20)18-10-13-5-7-17-8-6-13/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyMYGGQTLQFQASAP-UHFFFAOYSA-N
XLogP2.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
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-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108985107
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827
2-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 56932781
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82100549
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide (CID 82123372) is 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(C)c(C(=O)C(=O)NCc2ccncc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is MYGGQTLQFQASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-3-4-12(2)14(9-11)15(19)16(20)18-10-13-5-7-17-8-6-13/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 82123372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).