4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid

C13H18N2O4 — CID 114207490

IUPAC4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1CCCN1CCCC1
InChIInChI=1S/C13H18N2O4/c16-10-8-11(13(18)19)15(12(17)9-10)7-3-6-14-4-1-2-5-14/h8-9,16H,1-7H2,(H,18,19)
InChIKeyGLHFCXNPXBMOAW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.74
Rot. Bonds5

About 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid

4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid (PubChem CID 114207490) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid
PubChem CID114207490
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1CCCN1CCCC1
InChIInChI=1S/C13H18N2O4/c16-10-8-11(13(18)19)15(12(17)9-10)7-3-6-14-4-1-2-5-14/h8-9,16H,1-7H2,(H,18,19)
InChIKeyGLHFCXNPXBMOAW-UHFFFAOYSA-N
XLogP0.74
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207432
4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207651
4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207382
4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207480
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207556
3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107103922
5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 83968374
1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone
CID 45381456
2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid
CID 62992897
3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid
CID 90486333
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid
CID 115093232
2-amino-3-[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]propanoic acid
CID 116735211

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid (CID 114207490) is 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid is O=C(O)c1cc(O)cc(=O)n1CCCN1CCCC1.
What is the InChIKey of 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid?
The InChIKey is GLHFCXNPXBMOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-10-8-11(13(18)19)15(12(17)9-10)7-3-6-14-4-1-2-5-14/h8-9,16H,1-7H2,(H,18,19).
What are the key properties of 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid?
4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114207490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).