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

C13H17ClN2O3 — CID 114919895

IUPAC5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
SMILESCC1(C)CC(Nc2cc(C(=O)O)c(Cl)cn2)CCO1
InChIInChI=1S/C13H17ClN2O3/c1-13(2)6-8(3-4-19-13)16-11-5-9(12(17)18)10(14)7-15-11/h5,7-8H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMIWSKCCOGPJPJE-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.80
Rot. Bonds3

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

5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid (PubChem CID 114919895) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
PubChem CID114919895
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
SMILESCC1(C)CC(Nc2cc(C(=O)O)c(Cl)cn2)CCO1
InChIInChI=1S/C13H17ClN2O3/c1-13(2)6-8(3-4-19-13)16-11-5-9(12(17)18)10(14)7-15-11/h5,7-8H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMIWSKCCOGPJPJE-UHFFFAOYSA-N
XLogP2.80
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-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

5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 114919257
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
CID 113336597
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
CID 83040507
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972
5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114919638
3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 122132655
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
3-amino-2-[(2,2-dimethyloxan-4-yl)amino]benzoic acid
CID 112579411
5-chloro-N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 83039415

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid (CID 114919895) is 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid is CC1(C)CC(Nc2cc(C(=O)O)c(Cl)cn2)CCO1.
What is the InChIKey of 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is MIWSKCCOGPJPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2)6-8(3-4-19-13)16-11-5-9(12(17)18)10(14)7-15-11/h5,7-8H,3-4,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).