4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide

C21H15N3O — CID 4823960

IUPAC4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(C=Cc3ccccn3)c2)cc1
InChIInChI=1S/C21H15N3O/c22-15-17-7-10-18(11-8-17)21(25)24-20-6-3-4-16(14-20)9-12-19-5-1-2-13-23-19/h1-14H,(H,24,25)
InChIKeyJMVLRDSHYSYXMU-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.38
Rot. Bonds4

About 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide

4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide (PubChem CID 4823960) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
PubChem CID4823960
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(C=Cc3ccccn3)c2)cc1
InChIInChI=1S/C21H15N3O/c22-15-17-7-10-18(11-8-17)21(25)24-20-6-3-4-16(14-20)9-12-19-5-1-2-13-23-19/h1-14H,(H,24,25)
InChIKeyJMVLRDSHYSYXMU-UHFFFAOYSA-N
XLogP4.38
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751013
3-[(E)-2-pyridin-2-ylethenyl]benzonitrile
CID 18763276
4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91440947
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 7938889
5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide
CID 39984636
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
CID 18093346
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
4-cyano-N-[3-[di(pyrimidin-2-yl)amino]-4-methylphenyl]benzamide
CID 91482940
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide (CID 4823960) is 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide is N#Cc1ccc(C(=O)Nc2cccc(C=Cc3ccccn3)c2)cc1.
What is the InChIKey of 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide?
The InChIKey is JMVLRDSHYSYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c22-15-17-7-10-18(11-8-17)21(25)24-20-6-3-4-16(14-20)9-12-19-5-1-2-13-23-19/h1-14H,(H,24,25).
What are the key properties of 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide?
4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide is sourced from PubChem (CID 4823960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).