5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid

C13H18N2O3 — CID 83040507

IUPAC5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
SMILESCC1(C)CC(Nc2ccc(C(=O)O)nc2)CCO1
InChIInChI=1S/C13H18N2O3/c1-13(2)7-9(5-6-18-13)15-10-3-4-11(12(16)17)14-8-10/h3-4,8-9,15H,5-7H2,1-2H3,(H,16,17)
InChIKeyGMTINXBDWIWIEG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.15
Rot. Bonds3

About 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid

5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid (PubChem CID 83040507) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
PubChem CID83040507
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
SMILESCC1(C)CC(Nc2ccc(C(=O)O)nc2)CCO1
InChIInChI=1S/C13H18N2O3/c1-13(2)7-9(5-6-18-13)15-10-3-4-11(12(16)17)14-8-10/h3-4,8-9,15H,5-7H2,1-2H3,(H,16,17)
InChIKeyGMTINXBDWIWIEG-UHFFFAOYSA-N
XLogP2.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811776
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
CID 40899638
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
CID 113336597
5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114919895
N-(2,2-dimethyloxan-4-yl)-1-methylpyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225215
N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 83035238
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
CID 3688648
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid (CID 83040507) is 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid is CC1(C)CC(Nc2ccc(C(=O)O)nc2)CCO1.
What is the InChIKey of 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is GMTINXBDWIWIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2)7-9(5-6-18-13)15-10-3-4-11(12(16)17)14-8-10/h3-4,8-9,15H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid?
5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 83040507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).