N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide

C13H19N3O3 — CID 108806583

IUPACN-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
SMILESCC(=O)NCCNC(=O)Cn1c(C)cc(=O)cc1C
InChIInChI=1S/C13H19N3O3/c1-9-6-12(18)7-10(2)16(9)8-13(19)15-5-4-14-11(3)17/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,15,19)
InChIKeyIISQPRWBTASPFE-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.28
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide

N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide (PubChem CID 108806583) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
PubChem CID108806583
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
SMILESCC(=O)NCCNC(=O)Cn1c(C)cc(=O)cc1C
InChIInChI=1S/C13H19N3O3/c1-9-6-12(18)7-10(2)16(9)8-13(19)15-5-4-14-11(3)17/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,15,19)
InChIKeyIISQPRWBTASPFE-UHFFFAOYSA-N
XLogP-0.28
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide (CID 108806583) is N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide is CC(=O)NCCNC(=O)Cn1c(C)cc(=O)cc1C.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide?
The InChIKey is IISQPRWBTASPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-12(18)7-10(2)16(9)8-13(19)15-5-4-14-11(3)17/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,15,19).
What are the key properties of N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide?
N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 108806583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).