methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate

C14H13NO4 — CID 134147775

IUPACmethyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C14H13NO4/c1-19-14(18)10-8-15-11(7-12(10)16)13(17)9-5-3-2-4-6-9/h2-8,13,17H,1H3,(H,15,16)/t13-/m0/s1
InChIKeyQDYHUYQVPSMWIF-ZDUSSCGKSA-N
MW259.26 g/mol
LogP1.24
Rot. Bonds3

About methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate

methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 134147775) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate
PubChem CID134147775
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C14H13NO4/c1-19-14(18)10-8-15-11(7-12(10)16)13(17)9-5-3-2-4-6-9/h2-8,13,17H,1H3,(H,15,16)/t13-/m0/s1
InChIKeyQDYHUYQVPSMWIF-ZDUSSCGKSA-N
XLogP1.24
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Berkeleyamide C
CID 24879403
3-[(2-Hydroxy-2-phenylethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 3134425
Penipyridone A
CID 132525197
5-{[(2-Hydroxy-2-phenylethyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 3238816
Penipyridone E
CID 132525201
[[1-(2-Hydroxyethyl)-5-(3-methylbutanoylcarbamoyl)-4-oxopyridin-2-yl]-phenylmethyl] acetate
CID 134144377
Penipyridone C
CID 132525199
NCGC00380223-01_C20H24N2O5_3-Pyridinecarboxylic acid, 1,4-dihydro-6-(hydroxyphenylmethyl)-1-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-4-oxo-
CID 45359195
[(R)-[1-(2-hydroxyethyl)-5-(3-methylbutanoylcarbamoyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
CID 163064441
[(S)-[1-(2-hydroxyethyl)-5-[[(2R)-2-methylbutanoyl]carbamoyl]-4-oxo-2-pyridinyl]-phenylmethyl] acetate
CID 163105677
6-[hydroxy(phenyl)methyl]-N-(3-methylbutanoyl)-4-oxo-1H-pyridine-3-carboxamide
CID 90991225
5-(Benzyloxy)-4-hydroxy-6-(hydroxymethyl)nicotinic acid
CID 59600557

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate (CID 134147775) is methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O.
What is the InChIKey of methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QDYHUYQVPSMWIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-14(18)10-8-15-11(7-12(10)16)13(17)9-5-3-2-4-6-9/h2-8,13,17H,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate?
methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 134147775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).