5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid

C17H24ClN3O5 — CID 136549311

IUPAC5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
SMILESCN(C)C(=O)COCC1CN(c2ncc(C(=O)O)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C17H24ClN3O5/c1-17(2)10-21(15-13(18)5-11(6-19-15)16(23)24)7-12(26-17)8-25-9-14(22)20(3)4/h5-6,12H,7-10H2,1-4H3,(H,23,24)
InChIKeyPRKWABWGPPSQDO-UHFFFAOYSA-N
MW385.85 g/mol
LogP1.52
Rot. Bonds6

About 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid

5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid (PubChem CID 136549311) has the molecular formula C17H24ClN3O5 and a molecular weight of 385.85 g/mol. Its IUPAC name is 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
PubChem CID136549311
Molecular FormulaC17H24ClN3O5
Molecular Weight385.85 g/mol
Exact Mass385.14
IUPAC Name5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
SMILESCN(C)C(=O)COCC1CN(c2ncc(C(=O)O)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C17H24ClN3O5/c1-17(2)10-21(15-13(18)5-11(6-19-15)16(23)24)7-12(26-17)8-25-9-14(22)20(3)4/h5-6,12H,7-10H2,1-4H3,(H,23,24)
InChIKeyPRKWABWGPPSQDO-UHFFFAOYSA-N
XLogP1.52
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid (CID 136549311) is 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid is CN(C)C(=O)COCC1CN(c2ncc(C(=O)O)cc2Cl)CC(C)(C)O1.
What is the InChIKey of 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is PRKWABWGPPSQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O5/c1-17(2)10-21(15-13(18)5-11(6-19-15)16(23)24)7-12(26-17)8-25-9-14(22)20(3)4/h5-6,12H,7-10H2,1-4H3,(H,23,24).
What are the key properties of 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid?
5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 385.85 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 136549311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).