2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide

C12H17N3O3 — CID 45268243

IUPAC2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
SMILESCC(=O)Nc1cccn(CC(=O)NC(C)C)c1=O
InChIInChI=1S/C12H17N3O3/c1-8(2)13-11(17)7-15-6-4-5-10(12(15)18)14-9(3)16/h4-6,8H,7H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyDQRYHQXOMDXGAB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.33
Rot. Bonds4

About 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide

2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide (PubChem CID 45268243) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
PubChem CID45268243
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
SMILESCC(=O)Nc1cccn(CC(=O)NC(C)C)c1=O
InChIInChI=1S/C12H17N3O3/c1-8(2)13-11(17)7-15-6-4-5-10(12(15)18)14-9(3)16/h4-6,8H,7H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyDQRYHQXOMDXGAB-UHFFFAOYSA-N
XLogP0.33
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide (CID 45268243) is 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide is CC(=O)Nc1cccn(CC(=O)NC(C)C)c1=O.
What is the InChIKey of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide?
The InChIKey is DQRYHQXOMDXGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)13-11(17)7-15-6-4-5-10(12(15)18)14-9(3)16/h4-6,8H,7H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide?
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide has a molecular weight of 251.29 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 45268243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).