2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-

C17H19NO2 — CID 88738

IUPAC1-(5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl)ethanone
SMILESCC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CC=C2)C(=O)C
InChIInChI=1S/C17H19NO2/c1-10-15(12(3)19)17(14-8-6-5-7-9-14)16(13(4)20)11(2)18-10/h5-9,17-18H,1-4H3
InChIKeyGAJJRTVBAXALLD-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.20
Rot. Bonds3

About 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-

2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl- (PubChem CID 88738) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-
PubChem CID88738
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl)ethanone
SMILESCC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CC=C2)C(=O)C
InChIInChI=1S/C17H19NO2/c1-10-15(12(3)19)17(14-8-6-5-7-9-14)16(13(4)20)11(2)18-10/h5-9,17-18H,1-4H3
InChIKeyGAJJRTVBAXALLD-UHFFFAOYSA-N
XLogP2.20
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity457

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[3-(Dimethylamino)propyl]amino}-5-phenylcyclohex-2-en-1-one
CID 4534458
5-acetyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-2(1H)-pyridinone
CID 3753346
3-(Methylamino)-5-phenylcyclohex-2-en-1-one
CID 5107198
3-[(3-Methylbutyl)amino]-5-phenyl-2-cyclohexen-1-one
CID 2884079
3-(Pentylamino)-5-phenylcyclohex-2-en-1-one
CID 4040614
4-(2-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 3162372
3-Butanoyl-2,7,7-trimethyl-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 118731798
2,7,7-Trimethyl-3-pentanoyl-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 118731799
3-(Heptylamino)-5-phenylcyclohex-2-en-1-one
CID 12005401
3,3,6,6-Tetramethyl-9-phenyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 623300
3,3,6,6-Tetramethyl-9-p-tolyl-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione
CID 985441
9-Phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 796695

Frequently Asked Questions

What is the IUPAC name of 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-?
The IUPAC name of 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl- (CID 88738) is 1-(5-acetyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridin-3-yl)ethanone.
What is the SMILES notation for 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-?
The canonical SMILES for 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl- is CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CC=C2)C(=O)C.
What is the InChIKey of 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-?
The InChIKey is GAJJRTVBAXALLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10-15(12(3)19)17(14-8-6-5-7-9-14)16(13(4)20)11(2)18-10/h5-9,17-18H,1-4H3.
What are the key properties of 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-?
2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl- has a molecular weight of 269.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl- is sourced from PubChem (CID 88738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).