6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid

C13H18N2O4 — CID 114143627

IUPAC6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCC2(O)CCOC2C)ccc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-10(12(16)17)3-4-11(15-8)14-7-13(18)5-6-19-9(13)2/h3-4,9,18H,5-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCLFICHNJJGMXAL-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.04
Rot. Bonds4

About 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid

6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid (PubChem CID 114143627) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
PubChem CID114143627
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCC2(O)CCOC2C)ccc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-10(12(16)17)3-4-11(15-8)14-7-13(18)5-6-19-9(13)2/h3-4,9,18H,5-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCLFICHNJJGMXAL-UHFFFAOYSA-N
XLogP1.04
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid (CID 114143627) is 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid is Cc1nc(NCC2(O)CCOC2C)ccc1C(=O)O.
What is the InChIKey of 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid?
The InChIKey is CLFICHNJJGMXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-10(12(16)17)3-4-11(15-8)14-7-13(18)5-6-19-9(13)2/h3-4,9,18H,5-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid?
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114143627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).