(2-acetamido-3-pyridinyl) acetate

C9H10N2O3 — CID 2800224

IUPAC(2-acetamido-3-pyridinyl) acetate
SMILESCC(=O)Nc1ncccc1OC(C)=O
InChIInChI=1S/C9H10N2O3/c1-6(12)11-9-8(14-7(2)13)4-3-5-10-9/h3-5H,1-2H3,(H,10,11,12)
InChIKeyIDZIZSUOFZCQBI-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.97
Rot. Bonds2

About (2-acetamido-3-pyridinyl) acetate

(2-acetamido-3-pyridinyl) acetate (PubChem CID 2800224) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2-acetamido-3-pyridinyl) acetate.

Molecular Properties

Compound Name(2-acetamido-3-pyridinyl) acetate
PubChem CID2800224
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(2-acetamido-3-pyridinyl) acetate
SMILESCC(=O)Nc1ncccc1OC(C)=O
InChIInChI=1S/C9H10N2O3/c1-6(12)11-9-8(14-7(2)13)4-3-5-10-9/h3-5H,1-2H3,(H,10,11,12)
InChIKeyIDZIZSUOFZCQBI-UHFFFAOYSA-N
XLogP0.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-acetamido-3-pyridinyl) acetate?
The IUPAC name of (2-acetamido-3-pyridinyl) acetate (CID 2800224) is (2-acetamido-3-pyridinyl) acetate.
What is the SMILES notation for (2-acetamido-3-pyridinyl) acetate?
The canonical SMILES for (2-acetamido-3-pyridinyl) acetate is CC(=O)Nc1ncccc1OC(C)=O.
What is the InChIKey of (2-acetamido-3-pyridinyl) acetate?
The InChIKey is IDZIZSUOFZCQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6(12)11-9-8(14-7(2)13)4-3-5-10-9/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of (2-acetamido-3-pyridinyl) acetate?
(2-acetamido-3-pyridinyl) acetate has a molecular weight of 194.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-3-pyridinyl) acetate is sourced from PubChem (CID 2800224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).