N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide

C15H11N3O — CID 5396287

IUPACN-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide
SMILESN#C/C(=C\c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H11N3O/c16-10-14(9-12-5-4-8-17-11-12)18-15(19)13-6-2-1-3-7-13/h1-9,11H,(H,18,19)/b14-9+
InChIKeyOCPKRJQXPIFVTR-NTEUORMPSA-N
MW249.27 g/mol
LogP2.38
Rot. Bonds3

About N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide

N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide (PubChem CID 5396287) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide
PubChem CID5396287
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC NameN-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide
SMILESN#C/C(=C\c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C15H11N3O/c16-10-14(9-12-5-4-8-17-11-12)18-15(19)13-6-2-1-3-7-13/h1-9,11H,(H,18,19)/b14-9+
InChIKeyOCPKRJQXPIFVTR-NTEUORMPSA-N
XLogP2.38
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 3102804
N-[3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 818818
(E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid
CID 69148147
(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 19183466
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 19183690
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22787783
3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
CID 141385895
N-carbonocyanidoylbenzamide
CID 121227366
N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 46499189
4,4-dimethyl-3-oxo-2-(pyridin-3-ylmethylidene)pentanenitrile
CID 4987027

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide?
The IUPAC name of N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide (CID 5396287) is N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide.
What is the SMILES notation for N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide?
The canonical SMILES for N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide is N#C/C(=C\c1cccnc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide?
The InChIKey is OCPKRJQXPIFVTR-NTEUORMPSA-N. The full InChI is InChI=1S/C15H11N3O/c16-10-14(9-12-5-4-8-17-11-12)18-15(19)13-6-2-1-3-7-13/h1-9,11H,(H,18,19)/b14-9+.
What are the key properties of N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide?
N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide has a molecular weight of 249.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide is sourced from PubChem (CID 5396287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).