6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid

C12H13N3O3 — CID 106904607

IUPAC6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(CNCc2cccc(C(=O)O)n2)on1
InChIInChI=1S/C12H13N3O3/c1-8-5-10(18-15-8)7-13-6-9-3-2-4-11(14-9)12(16)17/h2-5,13H,6-7H2,1H3,(H,16,17)
InChIKeyGEXBCGRRUVYGJP-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.37
Rot. Bonds5

About 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid

6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904607) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904607
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1cc(CNCc2cccc(C(=O)O)n2)on1
InChIInChI=1S/C12H13N3O3/c1-8-5-10(18-15-8)7-13-6-9-3-2-4-11(14-9)12(16)17/h2-5,13H,6-7H2,1H3,(H,16,17)
InChIKeyGEXBCGRRUVYGJP-UHFFFAOYSA-N
XLogP1.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-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

Related Compounds

6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904658
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106896708
5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243341
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904632
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904564

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid (CID 106904607) is 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid is Cc1cc(CNCc2cccc(C(=O)O)n2)on1.
What is the InChIKey of 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is GEXBCGRRUVYGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-5-10(18-15-8)7-13-6-9-3-2-4-11(14-9)12(16)17/h2-5,13H,6-7H2,1H3,(H,16,17).
What are the key properties of 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).