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

C12H13N3O3 — CID 79242317

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1noc(C)c1CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C12H13N3O3/c1-7-10(8(2)18-15-7)6-14-11-5-9(12(16)17)3-4-13-11/h3-5H,6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyXSENSJYYKFBZJU-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.00
Rot. Bonds4

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 79242317) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID79242317
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1noc(C)c1CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C12H13N3O3/c1-7-10(8(2)18-15-7)6-14-11-5-9(12(16)17)3-4-13-11/h3-5H,6H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyXSENSJYYKFBZJU-UHFFFAOYSA-N
XLogP2.00
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 79238103
2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyridazin-3-amine
CID 79242277
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluoropyrimidin-4-amine
CID 115417159
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17417848
2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 62034388
2-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzoic acid
CID 113419845
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzene-1,3-dicarboxamide
CID 28781635
2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114474614

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid (CID 79242317) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid is Cc1noc(C)c1CNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is XSENSJYYKFBZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-10(8(2)18-15-7)6-14-11-5-9(12(16)17)3-4-13-11/h3-5H,6H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 79242317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).