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

C14H11ClN2O — CID 691131

IUPAC(E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN2O/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+
InChIKeyVFPYFCBYQRAYFS-RMKNXTFCSA-N
MW258.71 g/mol
LogP3.39
Rot. Bonds3

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

(E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide (PubChem CID 691131) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide
PubChem CID691131
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN2O/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+
InChIKeyVFPYFCBYQRAYFS-RMKNXTFCSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.39
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-chloro-2-pyridinyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide (CID 691131) is (E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of (E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide?
The InChIKey is VFPYFCBYQRAYFS-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H11ClN2O/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-chloro-2-pyridinyl)-3-phenylprop-2-enamide?
(E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide has a molecular weight of 258.71 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-pyridinyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 691131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).