2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide

C12H17N3O3 — CID 45272533

IUPAC2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc(NC(C)=O)c1=O
InChIInChI=1S/C12H17N3O3/c1-3-6-13-11(17)8-15-7-4-5-10(12(15)18)14-9(2)16/h4-5,7H,3,6,8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyXGCRARNQNMGCAQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.33
Rot. Bonds5

About 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide

2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide (PubChem CID 45272533) 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-propylacetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
PubChem CID45272533
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc(NC(C)=O)c1=O
InChIInChI=1S/C12H17N3O3/c1-3-6-13-11(17)8-15-7-4-5-10(12(15)18)14-9(2)16/h4-5,7H,3,6,8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyXGCRARNQNMGCAQ-UHFFFAOYSA-N
XLogP0.33
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-propylacetamide?
The IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide (CID 45272533) is 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide.
What is the SMILES notation for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide?
The canonical SMILES for 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide is CCCNC(=O)Cn1cccc(NC(C)=O)c1=O.
What is the InChIKey of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide?
The InChIKey is XGCRARNQNMGCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-6-13-11(17)8-15-7-4-5-10(12(15)18)14-9(2)16/h4-5,7H,3,6,8H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide?
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide has a molecular weight of 251.29 g/mol, XLogP of 0.33, 5 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-propylacetamide is sourced from PubChem (CID 45272533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).