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N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide

PubChem CID
4327973
Structure
N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide_small.png
N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide_3D_Structure.png
Molecular Formula
Synonyms
  • ChemDiv2_003509
  • Oprea1_505204
  • HMS1378P11
  • MFCD00561775
  • AKOS002134972
Molecular Weight
180.20 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
  • Create:
    2005-09-14
  • Modify:
    2025-01-25

1 Structures

1.1 2D Structure

Chemical Structure Depiction
N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide.png

1.2 3D Conformer

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
deamino-Gly(pyrid-2-yl)-Gly-ol
Sequence
XG
HELM
PEPTIDE1{[*C(=O)Cc1ccccn1 |$_R2;;;;;;;;;$|].[*NCCO |$_R1;;;;$|]}$$$$
IUPAC
deamino-2-pyridin-2-yl-glycyl-glycinol

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)

3.1.2 InChI

InChI=1S/C9H12N2O2/c12-6-5-11-9(13)7-8-3-1-2-4-10-8/h1-4,12H,5-7H2,(H,11,13)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

3.1.3 InChIKey

ZMSNSHZECDMQEK-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

3.1.4 SMILES

C1=CC=NC(=C1)CC(=O)NCCO
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

3.2 Molecular Formula

C9H12N2O2
Computed by PubChem 2.1 (PubChem release 2019.06.18)

3.3 Synonyms

3.3.1 Depositor-Supplied Synonyms

4 Chemical and Physical Properties

4.1 Computed Properties

Property Name
Molecular Weight
Property Value
180.20 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
-0.9
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
180.089877630 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
180.089877630 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
62.2 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
162
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)

5 Spectral Information

5.1 IR Spectra

5.1.1 FTIR Spectra

Instrument Name
Bruker IFS 85
Technique
KBr-Pellet
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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7 Chemical Vendors

8 Biological Test Results

8.1 BioAssay Results

9 Information Sources

CONTENTS