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

C10H12ClN3O — CID 169465064

IUPACN-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)cnc1N
InChIInChI=1S/C10H12ClN3O/c1-7(15)13-4-2-3-8-5-9(11)6-14-10(8)12/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,13,15)
InChIKeyOGIBYPPHARLKIW-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.47
Rot. Bonds3

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

N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169465064) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
PubChem CID169465064
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)cnc1N
InChIInChI=1S/C10H12ClN3O/c1-7(15)13-4-2-3-8-5-9(11)6-14-10(8)12/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,13,15)
InChIKeyOGIBYPPHARLKIW-UHFFFAOYSA-N
XLogP1.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-amino-5-chloro-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-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]acetamide
CID 169465223
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
3-(3-acetamidoprop-1-enyl)-2-amino-5-chlorobenzoic acid
CID 169466086
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
N-[3-(2-amino-3-pyridinyl)prop-2-enyl]acetamide
CID 169464873
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide
CID 169465500
N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
CID 169466530
5-(3-acetamidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169465856
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466149
N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169466857

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide (CID 169465064) is N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(Cl)cnc1N.
What is the InChIKey of N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is OGIBYPPHARLKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-7(15)13-4-2-3-8-5-9(11)6-14-10(8)12/h2-3,5-6H,4H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide?
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 225.68 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).