N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide

C11H14N2O2 — CID 169465196

IUPACN-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cncc(CO)c1
InChIInChI=1S/C11H14N2O2/c1-9(15)13-4-2-3-10-5-11(8-14)7-12-6-10/h2-3,5-7,14H,4,8H2,1H3,(H,13,15)
InChIKeyNEUQHUXAPUHZOR-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.72
Rot. Bonds4

About N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide

N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide (PubChem CID 169465196) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
PubChem CID169465196
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cncc(CO)c1
InChIInChI=1S/C11H14N2O2/c1-9(15)13-4-2-3-10-5-11(8-14)7-12-6-10/h2-3,5-7,14H,4,8H2,1H3,(H,13,15)
InChIKeyNEUQHUXAPUHZOR-UHFFFAOYSA-N
XLogP0.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol
CID 169477097
tert-butyl N-[4-[5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490205
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol
CID 170486715
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide (CID 169465196) is N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cncc(CO)c1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide?
The InChIKey is NEUQHUXAPUHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9(15)13-4-2-3-10-5-11(8-14)7-12-6-10/h2-3,5-7,14H,4,8H2,1H3,(H,13,15).
What are the key properties of N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide?
N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide has a molecular weight of 206.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).