4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid

C12H16N2O4 — CID 114207651

IUPAC4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESCN1CCCC1Cn1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C12H16N2O4/c1-13-4-2-3-8(13)7-14-10(12(17)18)5-9(15)6-11(14)16/h5-6,8,15H,2-4,7H2,1H3,(H,17,18)
InChIKeyMSKXDGYMGSTIQI-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.35
Rot. Bonds3

About 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid

4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 114207651) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid
PubChem CID114207651
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESCN1CCCC1Cn1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C12H16N2O4/c1-13-4-2-3-8(13)7-14-10(12(17)18)5-9(15)6-11(14)16/h5-6,8,15H,2-4,7H2,1H3,(H,17,18)
InChIKeyMSKXDGYMGSTIQI-UHFFFAOYSA-N
XLogP0.35
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207382
5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
CID 165482076
2-[[5-methyl-4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106019404
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
2-[[5-amino-4-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114137858
3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid
CID 130871108
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
2-[[4-[(1-methylpiperidin-2-yl)methyl]-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 55129791
2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride
CID 87619351
(2S)-2-(benzylsulfonylmethyl)-1-methylpyrrolidine
CID 174401893
4-[(1-methylpyrrolidin-2-yl)methyl]-1,4-diazepan-5-one
CID 115100457

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid (CID 114207651) is 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid is CN1CCCC1Cn1c(C(=O)O)cc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid?
The InChIKey is MSKXDGYMGSTIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-13-4-2-3-8(13)7-14-10(12(17)18)5-9(15)6-11(14)16/h5-6,8,15H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid?
4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).