1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone

C21H18N2O — CID 143690606

IUPAC1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone
SMILESC=C(Nc1ccccc1)c1ccc(C(=O)Cc2ccccc2)nc1
InChIInChI=1S/C21H18N2O/c1-16(23-19-10-6-3-7-11-19)18-12-13-20(22-15-18)21(24)14-17-8-4-2-5-9-17/h2-13,15,23H,1,14H2
InChIKeyXZXDCLNENSXDFX-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.59
Rot. Bonds6

About 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone

1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone (PubChem CID 143690606) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone
PubChem CID143690606
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone
SMILESC=C(Nc1ccccc1)c1ccc(C(=O)Cc2ccccc2)nc1
InChIInChI=1S/C21H18N2O/c1-16(23-19-10-6-3-7-11-19)18-12-13-20(22-15-18)21(24)14-17-8-4-2-5-9-17/h2-13,15,23H,1,14H2
InChIKeyXZXDCLNENSXDFX-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone?
The IUPAC name of 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone (CID 143690606) is 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone?
The canonical SMILES for 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone is C=C(Nc1ccccc1)c1ccc(C(=O)Cc2ccccc2)nc1.
What is the InChIKey of 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone?
The InChIKey is XZXDCLNENSXDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-16(23-19-10-6-3-7-11-19)18-12-13-20(22-15-18)21(24)14-17-8-4-2-5-9-17/h2-13,15,23H,1,14H2.
What are the key properties of 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone?
1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone has a molecular weight of 314.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-anilinoethenyl)-2-pyridinyl]-2-phenylethanone is sourced from PubChem (CID 143690606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).