2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone

C19H16N2O — CID 534484

IUPAC2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone
SMILES[H]N=c1ccn(CC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16N2O/c20-18-10-12-21(13-11-18)14-19(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20H,14H2
InChIKeyYGECTRZNKKYOAY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone

2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone (PubChem CID 534484) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone
PubChem CID534484
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone
SMILES[H]N=c1ccn(CC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16N2O/c20-18-10-12-21(13-11-18)14-19(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20H,14H2
InChIKeyYGECTRZNKKYOAY-UHFFFAOYSA-N
XLogP3.52
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone (CID 534484) is 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone is [H]N=c1ccn(CC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone?
The InChIKey is YGECTRZNKKYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c20-18-10-12-21(13-11-18)14-19(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20H,14H2.
What are the key properties of 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone?
2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone has a molecular weight of 288.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imino-1-pyridinyl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 534484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).