sodium 2-(3-acetamido-4-pyridinyl)acetate

C9H9N2NaO3 — CID 166428394

IUPACsodium 2-(3-acetamido-4-pyridinyl)acetate
SMILESCC(=O)Nc1cnccc1CC(=O)[O-].[Na+]
InChIInChI=1S/C9H10N2O3.Na/c1-6(12)11-8-5-10-3-2-7(8)4-9(13)14;/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeyHYGFJJKRSCYACH-UHFFFAOYSA-M
MW216.17 g/mol
LogP-3.66
Rot. Bonds3

About sodium 2-(3-acetamido-4-pyridinyl)acetate

sodium 2-(3-acetamido-4-pyridinyl)acetate (PubChem CID 166428394) has the molecular formula C9H9N2NaO3 and a molecular weight of 216.17 g/mol. Its IUPAC name is sodium 2-(3-acetamido-4-pyridinyl)acetate.

Molecular Properties

Compound Namesodium 2-(3-acetamido-4-pyridinyl)acetate
PubChem CID166428394
Molecular FormulaC9H9N2NaO3
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Namesodium 2-(3-acetamido-4-pyridinyl)acetate
SMILESCC(=O)Nc1cnccc1CC(=O)[O-].[Na+]
InChIInChI=1S/C9H10N2O3.Na/c1-6(12)11-8-5-10-3-2-7(8)4-9(13)14;/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeyHYGFJJKRSCYACH-UHFFFAOYSA-M
XLogP-3.66
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-3.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylpropyl)-3-pyridinyl]acetamide
CID 123762017
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
CID 162345670
N-(3-sulfanyl-4-pyridinyl)acetamide
CID 119086581
2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 89097906
ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
CID 71119003
dimethyl 2-[(3-acetamido-4-pyridinyl)methylidene]propanedioate
CID 57449667
N-(5-chloroisoquinolin-8-yl)acetamide
CID 119086837
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
N-(8-bromoisoquinolin-5-yl)acetamide
CID 18435891
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735

Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-acetamido-4-pyridinyl)acetate?
The IUPAC name of sodium 2-(3-acetamido-4-pyridinyl)acetate (CID 166428394) is sodium 2-(3-acetamido-4-pyridinyl)acetate.
What is the SMILES notation for sodium 2-(3-acetamido-4-pyridinyl)acetate?
The canonical SMILES for sodium 2-(3-acetamido-4-pyridinyl)acetate is CC(=O)Nc1cnccc1CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(3-acetamido-4-pyridinyl)acetate?
The InChIKey is HYGFJJKRSCYACH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2O3.Na/c1-6(12)11-8-5-10-3-2-7(8)4-9(13)14;/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-(3-acetamido-4-pyridinyl)acetate?
sodium 2-(3-acetamido-4-pyridinyl)acetate has a molecular weight of 216.17 g/mol, XLogP of -3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3-acetamido-4-pyridinyl)acetate is sourced from PubChem (CID 166428394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).