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

C14H11ClN2O — CID 676085

IUPAC(E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1cccnc1
InChIInChI=1S/C14H11ClN2O/c15-13-6-2-1-4-11(13)7-8-14(18)17-12-5-3-9-16-10-12/h1-10H,(H,17,18)/b8-7+
InChIKeyHCANACRHIQEWQF-BQYQJAHWSA-N
MW258.71 g/mol
LogP3.39
Rot. Bonds3

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

(E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide (PubChem CID 676085) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
PubChem CID676085
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1cccnc1
InChIInChI=1S/C14H11ClN2O/c15-13-6-2-1-4-11(13)7-8-14(18)17-12-5-3-9-16-10-12/h1-10H,(H,17,18)/b8-7+
InChIKeyHCANACRHIQEWQF-BQYQJAHWSA-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)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide (CID 676085) is (E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1cccnc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide?
The InChIKey is HCANACRHIQEWQF-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-13-6-2-1-4-11(13)7-8-14(18)17-12-5-3-9-16-10-12/h1-10H,(H,17,18)/b8-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-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)-3-(2-chlorophenyl)-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 676085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).