3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide

C15H9N3O — CID 70697497

IUPAC3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide
SMILESN#Cc1cccc(C#Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C15H9N3O/c16-10-14-6-2-5-13(18-14)8-7-11-3-1-4-12(9-11)15(17)19/h1-6,9H,(H2,17,19)
InChIKeyMHNXPHGNQWOBOR-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.45
Rot. Bonds1

About 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide

3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide (PubChem CID 70697497) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide.

Molecular Properties

Compound Name3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide
PubChem CID70697497
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide
SMILESN#Cc1cccc(C#Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C15H9N3O/c16-10-14-6-2-5-13(18-14)8-7-11-3-1-4-12(9-11)15(17)19/h1-6,9H,(H2,17,19)
InChIKeyMHNXPHGNQWOBOR-UHFFFAOYSA-N
XLogP1.45
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.45
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

3-cyano-N-(6-methylpyridin-2-yl)benzamide
CID 16007001
1-(3-(2-(6-Methylpyridin-2-yl)ethynyl)phenyl)ethanone
CID 18763228
(3-Methylphenyl)-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]methanone
CID 57575012
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 44819384
3-[2-(6-Acetyl-2-pyridinyl)ethynyl]-5-fluorobenzonitrile
CID 70684934
3-[2-(6-Acetyl-2-pyridinyl)ethynyl]benzonitrile
CID 70689177
4-[2-(4-Cyanophenyl)-6-(3-fluorophenyl)-4-pyridinyl]benzamide
CID 145984862
4-(2-Cyano-4-pyridinyl)benzamide
CID 145985021
N-(3-cyanophenyl)-6-methylpyridine-2-carboxamide
CID 24701455
3-(6-Formylpyridin-2-yl)benzonitrile
CID 1519480
4-(6-Formylpyridin-2-yl)benzonitrile
CID 16217890
n-(4-Cyanophenyl)-6-methylpicolinamide
CID 24697241

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide?
The IUPAC name of 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide (CID 70697497) is 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide.
What is the SMILES notation for 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide?
The canonical SMILES for 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide is N#Cc1cccc(C#Cc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide?
The InChIKey is MHNXPHGNQWOBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-10-14-6-2-5-13(18-14)8-7-11-3-1-4-12(9-11)15(17)19/h1-6,9H,(H2,17,19).
What are the key properties of 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide?
3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide has a molecular weight of 247.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-cyano-2-pyridinyl)ethynyl]benzamide is sourced from PubChem (CID 70697497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).