2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid

C13H15N3O3 — CID 81052352

IUPAC2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCc2cc(C)on2)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H15N3O3/c1-7-4-11(12(13(17)18)9(3)15-7)14-6-10-5-8(2)19-16-10/h4-5H,6H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyXRCZRZGQKCOYJT-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.31
Rot. Bonds4

About 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid

2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81052352) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID81052352
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCc2cc(C)on2)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H15N3O3/c1-7-4-11(12(13(17)18)9(3)15-7)14-6-10-5-8(2)19-16-10/h4-5H,6H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyXRCZRZGQKCOYJT-UHFFFAOYSA-N
XLogP2.31
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-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 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid (CID 81052352) is 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid is Cc1cc(NCc2cc(C)on2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is XRCZRZGQKCOYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-4-11(12(13(17)18)9(3)15-7)14-6-10-5-8(2)19-16-10/h4-5H,6H2,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid?
2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81052352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).