2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione

C17H15NO3 — CID 14373878

IUPAC2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione
SMILESCC(C(=O)CC(=O)c1ccccc1)C(=O)c1ccncc1
InChIInChI=1S/C17H15NO3/c1-12(17(21)14-7-9-18-10-8-14)15(19)11-16(20)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyONICCZYZFBCVNO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione

2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione (PubChem CID 14373878) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione.

Molecular Properties

Compound Name2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione
PubChem CID14373878
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione
SMILESCC(C(=O)CC(=O)c1ccccc1)C(=O)c1ccncc1
InChIInChI=1S/C17H15NO3/c1-12(17(21)14-7-9-18-10-8-14)15(19)11-16(20)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyONICCZYZFBCVNO-UHFFFAOYSA-N
XLogP2.74
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,5-diphenylpentane-1,3,5-trione
CID 14303545
1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847704
1-(2-chlorophenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847705
propan-2-yl 3-oxo-3-pyridin-4-ylpropanoate
CID 22925238
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2,4-dioxo-4-pyridin-4-ylbutanoic acid
CID 516697
N-hydroxy-2-methyl-3-oxo-3-phenylpropanamide
CID 3725961
3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
CID 11290437
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
benzyl-[(2S)-1-oxo-1-pyridin-4-ylpropan-2-yl]carbamic acid
CID 66717061
(2S)-2-bromo-1-pyridin-4-ylpropan-1-one
CID 86316487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione?
The IUPAC name of 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione (CID 14373878) is 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione.
What is the SMILES notation for 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione?
The canonical SMILES for 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione is CC(C(=O)CC(=O)c1ccccc1)C(=O)c1ccncc1.
What is the InChIKey of 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione?
The InChIKey is ONICCZYZFBCVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12(17(21)14-7-9-18-10-8-14)15(19)11-16(20)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione?
2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione has a molecular weight of 281.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione is sourced from PubChem (CID 14373878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).