4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile

C23H20N2O2 — CID 67015760

IUPAC4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile
SMILESCc1ccccc1[C@H](CC(=O)c1ccc(=O)n(C)c1)c1ccc(C#N)cc1
InChIInChI=1S/C23H20N2O2/c1-16-5-3-4-6-20(16)21(18-9-7-17(14-24)8-10-18)13-22(26)19-11-12-23(27)25(2)15-19/h3-12,15,21H,13H2,1-2H3/t21-/m1/s1
InChIKeyLPQFMKFZKLOSKH-OAQYLSRUSA-N
MW356.43 g/mol
LogP3.97
Rot. Bonds5

About 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile

4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile (PubChem CID 67015760) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile
PubChem CID67015760
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile
SMILESCc1ccccc1[C@H](CC(=O)c1ccc(=O)n(C)c1)c1ccc(C#N)cc1
InChIInChI=1S/C23H20N2O2/c1-16-5-3-4-6-20(16)21(18-9-7-17(14-24)8-10-18)13-22(26)19-11-12-23(27)25(2)15-19/h3-12,15,21H,13H2,1-2H3/t21-/m1/s1
InChIKeyLPQFMKFZKLOSKH-OAQYLSRUSA-N
XLogP3.97
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propanoyl]pyridin-2-one
CID 66668194
3-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 67015647
methyl 2-[[4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzoyl]amino]acetate
CID 67015532
4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 66668286
5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
CID 66669163
4-[4-[(3Z)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)propyl]phenyl]benzoic acid
CID 86661019
2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide
CID 140573968
3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
CID 67015677
4-[4-[(3E)-1-(4-chloro-2-methylphenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]phenyl]benzonitrile
CID 58043287
5-[(Z)-N-hydroxy-C-[(2S)-2-(2-methylphenyl)-2-(4-methylsulfonylphenyl)ethyl]carbonimidoyl]-1-methylpyridin-2-one
CID 86661222
5-[3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-(cyclopropylmethyl)pyridin-2-one
CID 66669168
5-[(E)-N-hydroxy-C-[2-(2-methylphenyl)-2-[4-(morpholine-4-carbonyl)phenyl]ethyl]carbonimidoyl]-1-methylpyridin-2-one
CID 58043529

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile?
The IUPAC name of 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile (CID 67015760) is 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile.
What is the SMILES notation for 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile?
The canonical SMILES for 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile is Cc1ccccc1[C@H](CC(=O)c1ccc(=O)n(C)c1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile?
The InChIKey is LPQFMKFZKLOSKH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16-5-3-4-6-20(16)21(18-9-7-17(14-24)8-10-18)13-22(26)19-11-12-23(27)25(2)15-19/h3-12,15,21H,13H2,1-2H3/t21-/m1/s1.
What are the key properties of 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile?
4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile has a molecular weight of 356.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzonitrile is sourced from PubChem (CID 67015760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).