N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide

C16H11N3O — CID 156838868

IUPACN-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccncc1C#Cc1ccc(C#N)cc1
InChIInChI=1S/C16H11N3O/c1-12(20)19-16-8-9-18-11-15(16)7-6-13-2-4-14(10-17)5-3-13/h2-5,8-9,11H,1H3,(H,18,19,20)
InChIKeyYIJBMXVZEIJDLI-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.31
Rot. Bonds1

About N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide

N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide (PubChem CID 156838868) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide
PubChem CID156838868
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC NameN-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccncc1C#Cc1ccc(C#N)cc1
InChIInChI=1S/C16H11N3O/c1-12(20)19-16-8-9-18-11-15(16)7-6-13-2-4-14(10-17)5-3-13/h2-5,8-9,11H,1H3,(H,18,19,20)
InChIKeyYIJBMXVZEIJDLI-UHFFFAOYSA-N
XLogP2.31
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-sulfanyl-4-pyridinyl)acetamide
CID 119086581
N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide
CID 141483129
2-(4-bromo-3-pyridinyl)-N-(3-cyano-4-pyridinyl)acetamide
CID 171440258
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
CID 70626300
N-(5-cyano-2-methyl-3-pyridinyl)acetamide
CID 86280283
4-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 55220100
sodium 2-(3-acetamido-4-pyridinyl)acetate
CID 166428394
N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide
CID 166272703
2-[4-cyano-2-[2-(4-methyl-3-pyridinyl)ethynyl]phenoxy]-3,3-dimethylbutanoic acid
CID 67007852
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide?
The IUPAC name of N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide (CID 156838868) is N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide?
The canonical SMILES for N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide is CC(=O)Nc1ccncc1C#Cc1ccc(C#N)cc1.
What is the InChIKey of N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide?
The InChIKey is YIJBMXVZEIJDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-12(20)19-16-8-9-18-11-15(16)7-6-13-2-4-14(10-17)5-3-13/h2-5,8-9,11H,1H3,(H,18,19,20).
What are the key properties of N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide?
N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide is sourced from PubChem (CID 156838868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).