3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one

C20H19NO2 — CID 11507774

IUPAC3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one
SMILESCc1ccccc1C(=O)C1=CCC(=O)NC1c1ccccc1C
InChIInChI=1S/C20H19NO2/c1-13-7-3-5-9-15(13)19-17(11-12-18(22)21-19)20(23)16-10-6-4-8-14(16)2/h3-11,19H,12H2,1-2H3,(H,21,22)
InChIKeyPBEIBTNDGKHCEQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.67
Rot. Bonds3

About 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one

3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one (PubChem CID 11507774) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one
PubChem CID11507774
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one
SMILESCc1ccccc1C(=O)C1=CCC(=O)NC1c1ccccc1C
InChIInChI=1S/C20H19NO2/c1-13-7-3-5-9-15(13)19-17(11-12-18(22)21-19)20(23)16-10-6-4-8-14(16)2/h3-11,19H,12H2,1-2H3,(H,21,22)
InChIKeyPBEIBTNDGKHCEQ-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one (CID 11507774) is 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one is Cc1ccccc1C(=O)C1=CCC(=O)NC1c1ccccc1C.
What is the InChIKey of 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is PBEIBTNDGKHCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-7-3-5-9-15(13)19-17(11-12-18(22)21-19)20(23)16-10-6-4-8-14(16)2/h3-11,19H,12H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one?
3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 305.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 11507774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).