1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone

C20H21NO — CID 53384232

IUPAC1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
SMILESCC(=O)C1=CCC(c2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C20H21NO/c1-16(22)19-12-13-20(18-10-6-3-7-11-18)21(15-19)14-17-8-4-2-5-9-17/h2-12,20H,13-15H2,1H3
InChIKeyHUZAQLCAMIVZMB-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.15
Rot. Bonds4

About 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone

1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone (PubChem CID 53384232) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
PubChem CID53384232
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
SMILESCC(=O)C1=CCC(c2ccccc2)N(Cc2ccccc2)C1
InChIInChI=1S/C20H21NO/c1-16(22)19-12-13-20(18-10-6-3-7-11-18)21(15-19)14-17-8-4-2-5-9-17/h2-12,20H,13-15H2,1H3
InChIKeyHUZAQLCAMIVZMB-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone?
The IUPAC name of 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone (CID 53384232) is 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone is CC(=O)C1=CCC(c2ccccc2)N(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone?
The InChIKey is HUZAQLCAMIVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-16(22)19-12-13-20(18-10-6-3-7-11-18)21(15-19)14-17-8-4-2-5-9-17/h2-12,20H,13-15H2,1H3.
What are the key properties of 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone?
1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone is sourced from PubChem (CID 53384232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).