(E)-3-phenyl-N-pyridin-3-ylprop-2-enamide

C14H12N2O — CID 825474

IUPAC(E)-3-phenyl-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccnc1
InChIInChI=1S/C14H12N2O/c17-14(16-13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H,(H,16,17)/b9-8+
InChIKeyLIKDGODLSLTXFU-CMDGGOBGSA-N
MW224.26 g/mol
LogP2.73
Rot. Bonds3

About (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide

(E)-3-phenyl-N-pyridin-3-ylprop-2-enamide (PubChem CID 825474) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-pyridin-3-ylprop-2-enamide
PubChem CID825474
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(E)-3-phenyl-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccnc1
InChIInChI=1S/C14H12N2O/c17-14(16-13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H,(H,16,17)/b9-8+
InChIKeyLIKDGODLSLTXFU-CMDGGOBGSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide (CID 825474) is (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccnc1.
What is the InChIKey of (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide?
The InChIKey is LIKDGODLSLTXFU-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14(16-13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H,(H,16,17)/b9-8+.
What are the key properties of (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide?
(E)-3-phenyl-N-pyridin-3-ylprop-2-enamide has a molecular weight of 224.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 825474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).