[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol

C17H26ClN3O2 — CID 70713957

IUPAC[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
SMILESC[C@@H]1CN(C[C@@H]2CN(c3ncccc3Cl)C[C@@H]2CO)C[C@H](C)O1
InChIInChI=1S/C17H26ClN3O2/c1-12-6-20(7-13(2)23-12)8-14-9-21(10-15(14)11-22)17-16(18)4-3-5-19-17/h3-5,12-15,22H,6-11H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyRXRNDPCOVICCQY-LXTVHRRPSA-N
MW339.87 g/mol
LogP1.89
Rot. Bonds4

About [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 70713957) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID70713957
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
SMILESC[C@@H]1CN(C[C@@H]2CN(c3ncccc3Cl)C[C@@H]2CO)C[C@H](C)O1
InChIInChI=1S/C17H26ClN3O2/c1-12-6-20(7-13(2)23-12)8-14-9-21(10-15(14)11-22)17-16(18)4-3-5-19-17/h3-5,12-15,22H,6-11H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyRXRNDPCOVICCQY-LXTVHRRPSA-N
XLogP1.89
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol 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 [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol (CID 70713957) is [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol is C[C@@H]1CN(C[C@@H]2CN(c3ncccc3Cl)C[C@@H]2CO)C[C@H](C)O1.
What is the InChIKey of [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is RXRNDPCOVICCQY-LXTVHRRPSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-12-6-20(7-13(2)23-12)8-14-9-21(10-15(14)11-22)17-16(18)4-3-5-19-17/h3-5,12-15,22H,6-11H2,1-2H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 339.87 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(3-chloro-2-pyridinyl)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70713957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).