(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one

C18H17NO2 — CID 135016631

IUPAC(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one
SMILESCN1C(=O)[C@@H](O)[C@H](c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-19-16(14-10-6-3-7-11-14)12-15(17(20)18(19)21)13-8-4-2-5-9-13/h2-12,15,17,20H,1H3/t15-,17-/m0/s1
InChIKeyCFPWXDQNWJBEDS-RDJZCZTQSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds2

About (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one

(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one (PubChem CID 135016631) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one
PubChem CID135016631
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one
SMILESCN1C(=O)[C@@H](O)[C@H](c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-19-16(14-10-6-3-7-11-14)12-15(17(20)18(19)21)13-8-4-2-5-9-13/h2-12,15,17,20H,1H3/t15-,17-/m0/s1
InChIKeyCFPWXDQNWJBEDS-RDJZCZTQSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one?
The IUPAC name of (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one (CID 135016631) is (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one is CN1C(=O)[C@@H](O)[C@H](c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one?
The InChIKey is CFPWXDQNWJBEDS-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-16(14-10-6-3-7-11-14)12-15(17(20)18(19)21)13-8-4-2-5-9-13/h2-12,15,17,20H,1H3/t15-,17-/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one?
(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 135016631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).