(3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile

C24H18N2O — CID 122385628

IUPAC(3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile
SMILESN#C[C@H]1C(=O)N(c2ccccc2)C(c2ccccc2)=C[C@@H]1c1ccccc1
InChIInChI=1S/C24H18N2O/c25-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)26(24(22)27)20-14-8-3-9-15-20/h1-16,21-22H/t21-,22-/m1/s1
InChIKeyBCUKHYNAOSUXBJ-FGZHOGPDSA-N
MW350.42 g/mol
LogP5.00
Rot. Bonds3

About (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile

(3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile (PubChem CID 122385628) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name(3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile
PubChem CID122385628
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name(3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile
SMILESN#C[C@H]1C(=O)N(c2ccccc2)C(c2ccccc2)=C[C@@H]1c1ccccc1
InChIInChI=1S/C24H18N2O/c25-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)26(24(22)27)20-14-8-3-9-15-20/h1-16,21-22H/t21-,22-/m1/s1
InChIKeyBCUKHYNAOSUXBJ-FGZHOGPDSA-N
XLogP5.00
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(4-chlorophenyl)-2-oxo-4,6-diphenyl-3,4-dihydropyridine-3-carbonitrile
CID 122385631
(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135016631
4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
CID 3021438
4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzonitrile
CID 56695839
(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one
CID 102406763
1,5-diphenylpyrrole-2,3-dione
CID 10467233
(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135011947
5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile
CID 23558243
4-(1-adamantyl)-6-chloro-2-oxo-1-phenyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 11835674
2,6-diphenyl-4-(2,4,6-triphenyl-4H-pyridin-1-yl)phenol
CID 101110915
(5S)-1,3,5-triphenylimidazolidine-2,4-dione
CID 154708380
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile?
The IUPAC name of (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile (CID 122385628) is (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile is N#C[C@H]1C(=O)N(c2ccccc2)C(c2ccccc2)=C[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile?
The InChIKey is BCUKHYNAOSUXBJ-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H18N2O/c25-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)26(24(22)27)20-14-8-3-9-15-20/h1-16,21-22H/t21-,22-/m1/s1.
What are the key properties of (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile?
(3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-oxo-1,4,6-triphenyl-3,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 122385628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).