(E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide

C14H11BrN2O — CID 691129

IUPAC(E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H11BrN2O/c15-12-7-8-13(16-10-12)17-14(18)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17,18)/b9-6+
InChIKeyNFKCXWNXWWCWLQ-RMKNXTFCSA-N
MW303.16 g/mol
LogP3.50
Rot. Bonds3

About (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide

(E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide (PubChem CID 691129) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide
PubChem CID691129
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name(E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H11BrN2O/c15-12-7-8-13(16-10-12)17-14(18)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17,18)/b9-6+
InChIKeyNFKCXWNXWWCWLQ-RMKNXTFCSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.50
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)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide (CID 691129) is (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(Br)cn1.
What is the InChIKey of (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide?
The InChIKey is NFKCXWNXWWCWLQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-7-8-13(16-10-12)17-14(18)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17,18)/b9-6+.
What are the key properties of (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide?
(E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide has a molecular weight of 303.16 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-bromo-2-pyridinyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 691129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).