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

C10H11ClN2O — CID 169464897

IUPACN-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Cl)cn1
InChIInChI=1S/C10H11ClN2O/c1-8(14)12-6-2-3-10-5-4-9(11)7-13-10/h2-5,7H,6H2,1H3,(H,12,14)
InChIKeyCVIIMWLCILFQIF-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.88
Rot. Bonds3

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

N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169464897) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
PubChem CID169464897
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Cl)cn1
InChIInChI=1S/C10H11ClN2O/c1-8(14)12-6-2-3-10-5-4-9(11)7-13-10/h2-5,7H,6H2,1H3,(H,12,14)
InChIKeyCVIIMWLCILFQIF-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464931
N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464899
4-(5-chloro-2-pyridinyl)but-3-enoic acid
CID 170483056
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane
CID 144549677
N-[3-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169466857
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide (CID 169464897) is N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(Cl)cn1.
What is the InChIKey of N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is CVIIMWLCILFQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-8(14)12-6-2-3-10-5-4-9(11)7-13-10/h2-5,7H,6H2,1H3,(H,12,14).
What are the key properties of N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide?
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 210.66 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169464897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).