N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide

C9H11ClN2O — CID 177366200

IUPACN-[1-(3-chloro-2-pyridinyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ncccc1Cl
InChIInChI=1S/C9H11ClN2O/c1-6(12-7(2)13)9-8(10)4-3-5-11-9/h3-6H,1-2H3,(H,12,13)
InChIKeyHTRQOHWTXWABPP-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.93
Rot. Bonds2

About N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide

N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide (PubChem CID 177366200) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)ethyl]acetamide
PubChem CID177366200
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-[1-(3-chloro-2-pyridinyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ncccc1Cl
InChIInChI=1S/C9H11ClN2O/c1-6(12-7(2)13)9-8(10)4-3-5-11-9/h3-6H,1-2H3,(H,12,13)
InChIKeyHTRQOHWTXWABPP-UHFFFAOYSA-N
XLogP1.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chloro-2-pyridinyl)ethyl]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

3-(3-chloro-2-pyridinyl)butan-2-one
CID 63196359
[4-[1-(3-chloro-2-pyridinyl)ethylcarbamoyl]-2-formylphenyl]boronic acid
CID 166430851
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
CID 87649733
1-[1-(3-chloro-2-pyridinyl)ethyl]-3-[1-(2-fluoroethyl)cyclobutyl]urea
CID 166316896
2-(3-chloro-2-pyridinyl)-2-fluoroacetic acid
CID 175281524
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
1-(3-chloro-2-pyridinyl)-N-methylprop-2-yn-1-amine
CID 103444052
N-[2-(1-hydroxyethyl)-3-pyridinyl]acetamide
CID 133062279
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide
CID 175446263

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide (CID 177366200) is N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide is CC(=O)NC(C)c1ncccc1Cl.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide?
The InChIKey is HTRQOHWTXWABPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6(12-7(2)13)9-8(10)4-3-5-11-9/h3-6H,1-2H3,(H,12,13).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide?
N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide has a molecular weight of 198.65 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 177366200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).