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

C12H13N3O3 — CID 106373120

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCc1nc(CNc2cccc(C(=O)O)n2)oc1C
InChIInChI=1S/C12H13N3O3/c1-7-8(2)18-11(14-7)6-13-10-5-3-4-9(15-10)12(16)17/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyXLUDWYWQIUMGHP-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.00
Rot. Bonds4

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

6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 106373120) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID106373120
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCc1nc(CNc2cccc(C(=O)O)n2)oc1C
InChIInChI=1S/C12H13N3O3/c1-7-8(2)18-11(14-7)6-13-10-5-3-4-9(15-10)12(16)17/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyXLUDWYWQIUMGHP-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-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114180485
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 106375630
6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378770
6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 114180453
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide
CID 106374178
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-fluorobenzoic acid
CID 106377662
2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114181032
6-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid
CID 122058014
6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid (CID 106373120) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid is Cc1nc(CNc2cccc(C(=O)O)n2)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is XLUDWYWQIUMGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-8(2)18-11(14-7)6-13-10-5-3-4-9(15-10)12(16)17/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-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 6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106373120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).