(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide

C10H12N2O2 — CID 43416816

IUPAC(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCO
InChIInChI=1S/C10H12N2O2/c13-7-6-12-10(14)4-3-9-2-1-5-11-8-9/h1-5,8,13H,6-7H2,(H,12,14)/b4-3+
InChIKeyAJPVVLYEGNBBKU-ONEGZZNKSA-N
MW192.22 g/mol
LogP0.20
Rot. Bonds4

About (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 43416816) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID43416816
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCO
InChIInChI=1S/C10H12N2O2/c13-7-6-12-10(14)4-3-9-2-1-5-11-8-9/h1-5,8,13H,6-7H2,(H,12,14)/b4-3+
InChIKeyAJPVVLYEGNBBKU-ONEGZZNKSA-N
XLogP0.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
CID 113340817
(E)-N-[2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 162501818
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 103843405
(E)-N-[2-(2,4-dihydroxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701349
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
CID 113343229
4-methyl-6-(3-pyridin-3-ylprop-2-enoylamino)hexanoic acid
CID 77024850
(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 98518017
(2S)-4-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 114004802

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide (CID 43416816) is (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCO.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is AJPVVLYEGNBBKU-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-7-6-12-10(14)4-3-9-2-1-5-11-8-9/h1-5,8,13H,6-7H2,(H,12,14)/b4-3+.
What are the key properties of (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 192.22 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 43416816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).