(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one

C24H22N2O — CID 135011947

IUPAC(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one
SMILESN[C@H]1C(=O)N(Cc2ccccc2)C(c2ccccc2)=C[C@@H]1c1ccccc1
InChIInChI=1S/C24H22N2O/c25-23-21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)26(24(23)27)17-18-10-4-1-5-11-18/h1-16,21,23H,17,25H2/t21-,23-/m1/s1
InChIKeyGUUMKIAXTXMPLG-FYYLOGMGSA-N
MW354.45 g/mol
LogP4.18
Rot. Bonds4

About (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one

(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one (PubChem CID 135011947) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one
PubChem CID135011947
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one
SMILESN[C@H]1C(=O)N(Cc2ccccc2)C(c2ccccc2)=C[C@@H]1c1ccccc1
InChIInChI=1S/C24H22N2O/c25-23-21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)26(24(23)27)17-18-10-4-1-5-11-18/h1-16,21,23H,17,25H2/t21-,23-/m1/s1
InChIKeyGUUMKIAXTXMPLG-FYYLOGMGSA-N
XLogP4.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-benzyl-4,6-diphenyl-3-sulfanyl-3,4-dihydropyridin-2-one
CID 102406763
(3R,4R)-1-benzyl-4-(4-chlorophenyl)-6-phenyl-3-sulfanyl-3,4-dihydropyridin-2-one
CID 102406767
(3aR,4S,7S,7aR)-2-benzyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99734182
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(1R,8R,9S,13R)-11-benzyl-14-chloro-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 6541486
(3aR,4S,7S,7aR)-2-[(4-fluorophenyl)methyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11890761
(1S,2S,6R,7S)-4-benzyl-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 98048114
(3S,4S)-3-hydroxy-1-methyl-4,6-diphenyl-3,4-dihydropyridin-2-one
CID 135016631
(7Z)-N,1-dibenzyl-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxamide
CID 23631435
(3aR,4R,7R,7aS)-2-benzyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 99173411
(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one
CID 100964466

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one (CID 135011947) is (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one is N[C@H]1C(=O)N(Cc2ccccc2)C(c2ccccc2)=C[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one?
The InChIKey is GUUMKIAXTXMPLG-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H22N2O/c25-23-21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)26(24(23)27)17-18-10-4-1-5-11-18/h1-16,21,23H,17,25H2/t21-,23-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one?
(3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-benzyl-4,6-diphenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 135011947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).