(E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide

C14H10Cl2N2O — CID 903240

IUPAC(E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccncc1
InChIInChI=1S/C14H10Cl2N2O/c15-12-2-1-3-13(16)11(12)4-5-14(19)18-10-6-8-17-9-7-10/h1-9H,(H,17,18,19)/b5-4+
InChIKeyWGVBOMRTMGRJGA-SNAWJCMRSA-N
MW293.15 g/mol
LogP4.04
Rot. Bonds3

About (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 903240) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID903240
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccncc1
InChIInChI=1S/C14H10Cl2N2O/c15-12-2-1-3-13(16)11(12)4-5-14(19)18-10-6-8-17-9-7-10/h1-9H,(H,17,18,19)/b5-4+
InChIKeyWGVBOMRTMGRJGA-SNAWJCMRSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.04
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-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide (CID 903240) is (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccncc1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is WGVBOMRTMGRJGA-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-12-2-1-3-13(16)11(12)4-5-14(19)18-10-6-8-17-9-7-10/h1-9H,(H,17,18,19)/b5-4+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 293.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 903240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).