N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide

C11H11N3O — CID 169465102

IUPACN-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccnc(C#N)c1
InChIInChI=1S/C11H11N3O/c1-9(15)13-5-2-3-10-4-6-14-11(7-10)8-12/h2-4,6-7H,5H2,1H3,(H,13,15)
InChIKeyXEUSQDJANXFOTK-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.10
Rot. Bonds3

About N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide

N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169465102) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide
PubChem CID169465102
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccnc(C#N)c1
InChIInChI=1S/C11H11N3O/c1-9(15)13-5-2-3-10-4-6-14-11(7-10)8-12/h2-4,6-7H,5H2,1H3,(H,13,15)
InChIKeyXEUSQDJANXFOTK-UHFFFAOYSA-N
XLogP1.10
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521
N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide
CID 169465094
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561
4-(2-cyanoethenyl)pyridine-2-carbonitrile
CID 169483183
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[4-(2-cyano-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882726
N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide
CID 169466178
N-[3-(3-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464929

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide (CID 169465102) is N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccnc(C#N)c1.
What is the InChIKey of N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is XEUSQDJANXFOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-9(15)13-5-2-3-10-4-6-14-11(7-10)8-12/h2-4,6-7H,5H2,1H3,(H,13,15).
What are the key properties of N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide?
N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 201.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).