1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one

C20H16N2O — CID 91190415

IUPAC1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one
SMILESO=C(c1ccccc1)C(/C=N/c1ccccc1)c1ccccn1
InChIInChI=1S/C20H16N2O/c23-20(16-9-3-1-4-10-16)18(19-13-7-8-14-21-19)15-22-17-11-5-2-6-12-17/h1-15,18H/b22-15+
InChIKeyUKROPEWOIVPAGX-PXLXIMEGSA-N
MW300.36 g/mol
LogP4.45
Rot. Bonds5

About 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one

1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one (PubChem CID 91190415) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one
PubChem CID91190415
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one
SMILESO=C(c1ccccc1)C(/C=N/c1ccccc1)c1ccccn1
InChIInChI=1S/C20H16N2O/c23-20(16-9-3-1-4-10-16)18(19-13-7-8-14-21-19)15-22-17-11-5-2-6-12-17/h1-15,18H/b22-15+
InChIKeyUKROPEWOIVPAGX-PXLXIMEGSA-N
XLogP4.45
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one
CID 90957038
N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine
CID 91431094
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
CID 11780090
3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
CID 90940702
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
(4-oxo-4-phenyl-1-phosphono-3-pyridin-2-ylbutyl)phosphonic acid
CID 19975357
1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 90680427
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
(Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one
CID 101386160
copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)
CID 134096987

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one (CID 91190415) is 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one is O=C(c1ccccc1)C(/C=N/c1ccccc1)c1ccccn1.
What is the InChIKey of 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one?
The InChIKey is UKROPEWOIVPAGX-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H16N2O/c23-20(16-9-3-1-4-10-16)18(19-13-7-8-14-21-19)15-22-17-11-5-2-6-12-17/h1-15,18H/b22-15+.
What are the key properties of 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one?
1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one has a molecular weight of 300.36 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 91190415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).