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

C12H13N3O3 — CID 114180453

IUPAC6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCCc1cnc(CNc2cccc(C(=O)O)n2)o1
InChIInChI=1S/C12H13N3O3/c1-2-8-6-14-11(18-8)7-13-10-5-3-4-9(15-10)12(16)17/h3-6H,2,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyGTWSFPGBRKHYIE-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.94
Rot. Bonds5

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

6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 114180453) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID114180453
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCCc1cnc(CNc2cccc(C(=O)O)n2)o1
InChIInChI=1S/C12H13N3O3/c1-2-8-6-14-11(18-8)7-13-10-5-3-4-9(15-10)12(16)17/h3-6H,2,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyGTWSFPGBRKHYIE-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]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-[(2-propyl-1,3-oxazol-5-yl)methylamino]pyridine-2-carboxylic acid
CID 122058014
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106373120
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 106378320
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114180825
3-chloro-6-(ethylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106376933
6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
CID 106373959

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid (CID 114180453) is 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid is CCc1cnc(CNc2cccc(C(=O)O)n2)o1.
What is the InChIKey of 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is GTWSFPGBRKHYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-8-6-14-11(18-8)7-13-10-5-3-4-9(15-10)12(16)17/h3-6H,2,7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid?
6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114180453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).