N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide

C13H18N2O2 — CID 12857675

IUPACN-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide
SMILESCC(=O)N(CCCC=O)c1cc(C)cc(C)n1
InChIInChI=1S/C13H18N2O2/c1-10-8-11(2)14-13(9-10)15(12(3)17)6-4-5-7-16/h7-9H,4-6H2,1-3H3
InChIKeyBRTQCYABNYGSNH-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.03
Rot. Bonds5

About N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide

N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide (PubChem CID 12857675) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide
PubChem CID12857675
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide
SMILESCC(=O)N(CCCC=O)c1cc(C)cc(C)n1
InChIInChI=1S/C13H18N2O2/c1-10-8-11(2)14-13(9-10)15(12(3)17)6-4-5-7-16/h7-9H,4-6H2,1-3H3
InChIKeyBRTQCYABNYGSNH-UHFFFAOYSA-N
XLogP2.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide (CID 12857675) is N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide is CC(=O)N(CCCC=O)c1cc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide?
The InChIKey is BRTQCYABNYGSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-8-11(2)14-13(9-10)15(12(3)17)6-4-5-7-16/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide?
N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-N-(4-oxobutyl)acetamide is sourced from PubChem (CID 12857675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).