(6-acetamido-3-cyano-2-pyridinyl) acetate

C10H9N3O3 — CID 15121210

IUPAC(6-acetamido-3-cyano-2-pyridinyl) acetate
SMILESCC(=O)Nc1ccc(C#N)c(OC(C)=O)n1
InChIInChI=1S/C10H9N3O3/c1-6(14)12-9-4-3-8(5-11)10(13-9)16-7(2)15/h3-4H,1-2H3,(H,12,13,14)
InChIKeyALFCPMAAMTYOHZ-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.84
Rot. Bonds2

About (6-acetamido-3-cyano-2-pyridinyl) acetate

(6-acetamido-3-cyano-2-pyridinyl) acetate (PubChem CID 15121210) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is (6-acetamido-3-cyano-2-pyridinyl) acetate.

Molecular Properties

Compound Name(6-acetamido-3-cyano-2-pyridinyl) acetate
PubChem CID15121210
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name(6-acetamido-3-cyano-2-pyridinyl) acetate
SMILESCC(=O)Nc1ccc(C#N)c(OC(C)=O)n1
InChIInChI=1S/C10H9N3O3/c1-6(14)12-9-4-3-8(5-11)10(13-9)16-7(2)15/h3-4H,1-2H3,(H,12,13,14)
InChIKeyALFCPMAAMTYOHZ-UHFFFAOYSA-N
XLogP0.84
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-acetamido-3-cyano-2-pyridinyl) acetate?
The IUPAC name of (6-acetamido-3-cyano-2-pyridinyl) acetate (CID 15121210) is (6-acetamido-3-cyano-2-pyridinyl) acetate.
What is the SMILES notation for (6-acetamido-3-cyano-2-pyridinyl) acetate?
The canonical SMILES for (6-acetamido-3-cyano-2-pyridinyl) acetate is CC(=O)Nc1ccc(C#N)c(OC(C)=O)n1.
What is the InChIKey of (6-acetamido-3-cyano-2-pyridinyl) acetate?
The InChIKey is ALFCPMAAMTYOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6(14)12-9-4-3-8(5-11)10(13-9)16-7(2)15/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of (6-acetamido-3-cyano-2-pyridinyl) acetate?
(6-acetamido-3-cyano-2-pyridinyl) acetate has a molecular weight of 219.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetamido-3-cyano-2-pyridinyl) acetate is sourced from PubChem (CID 15121210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).