4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid

C18H21NO4 — CID 54677093

IUPAC4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid
SMILESCCCCCn1c(C)c(C(=O)O)c(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C18H21NO4/c1-3-4-8-11-19-12(2)14(18(22)23)16(20)15(17(19)21)13-9-6-5-7-10-13/h5-7,9-10,20H,3-4,8,11H2,1-2H3,(H,22,23)
InChIKeyIYPDSLBVVCHMSM-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.42
Rot. Bonds6

About 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid

4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid (PubChem CID 54677093) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid
PubChem CID54677093
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid
SMILESCCCCCn1c(C)c(C(=O)O)c(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C18H21NO4/c1-3-4-8-11-19-12(2)14(18(22)23)16(20)15(17(19)21)13-9-6-5-7-10-13/h5-7,9-10,20H,3-4,8,11H2,1-2H3,(H,22,23)
InChIKeyIYPDSLBVVCHMSM-UHFFFAOYSA-N
XLogP3.42
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propyl-1,6-dihydro-3-pyridinecarboxylate
CID 54694325
4-Hydroxy-6-isobutyl-1-methyl-3-phenyl-pyridin-2-one
CID 76280929
4-hydroxy-1,7,7-trimethyl-3-phenyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CID 54708943
4-Hydroxy-6-isobutyl-1-isopropyl-3-phenyl-pyridin-2-one
CID 127040788
1-Benzyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one
CID 54713545
1-Cyclohexyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one
CID 54719915
Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 54688712
4-Acetyl-1-cyclohexyl-5-hydroxy-5-methyl-3-phenylpyrrol-2-one
CID 102356288
6-(2-Fluorophenyl)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 66844827
6-(2-Fluorophenyl)-3-methyl-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 66844924
6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
CID 66844995
5-(4-Fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 67337684

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid (CID 54677093) is 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid is CCCCCn1c(C)c(C(=O)O)c(O)c(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid?
The InChIKey is IYPDSLBVVCHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-3-4-8-11-19-12(2)14(18(22)23)16(20)15(17(19)21)13-9-6-5-7-10-13/h5-7,9-10,20H,3-4,8,11H2,1-2H3,(H,22,23).
What are the key properties of 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid?
4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 54677093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).