2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide

C9H12N2O2 — CID 83816903

IUPAC2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
SMILESO=C(CO)NCCc1ccncc1
InChIInChI=1S/C9H12N2O2/c12-7-9(13)11-6-3-8-1-4-10-5-2-8/h1-2,4-5,12H,3,6-7H2,(H,11,13)
InChIKeyMRQXRYDPVOCFQT-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.27
Rot. Bonds4

About 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide

2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 83816903) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID83816903
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
SMILESO=C(CO)NCCc1ccncc1
InChIInChI=1S/C9H12N2O2/c12-7-9(13)11-6-3-8-1-4-10-5-2-8/h1-2,4-5,12H,3,6-7H2,(H,11,13)
InChIKeyMRQXRYDPVOCFQT-UHFFFAOYSA-N
XLogP-0.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide (CID 83816903) is 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide is O=C(CO)NCCc1ccncc1.
What is the InChIKey of 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is MRQXRYDPVOCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-7-9(13)11-6-3-8-1-4-10-5-2-8/h1-2,4-5,12H,3,6-7H2,(H,11,13).
What are the key properties of 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide?
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 180.21 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 83816903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).