3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol

C19H27N3O4 — CID 67996772

IUPAC3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol
SMILESCOc1ccc2nccc(CC[C@@H]3CC[C@@H](N)[C@@H](CC(O)CO)O3)c2n1
InChIInChI=1S/C19H27N3O4/c1-25-18-7-6-16-19(22-18)12(8-9-21-16)2-3-14-4-5-15(20)17(26-14)10-13(24)11-23/h6-9,13-15,17,23-24H,2-5,10-11,20H2,1H3/t13?,14-,15-,17-/m1/s1
InChIKeyGRJCLRJSHSXENH-HYGDKIEISA-N
MW361.44 g/mol
LogP1.19
Rot. Bonds7

About 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol

3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol (PubChem CID 67996772) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol
PubChem CID67996772
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol
SMILESCOc1ccc2nccc(CC[C@@H]3CC[C@@H](N)[C@@H](CC(O)CO)O3)c2n1
InChIInChI=1S/C19H27N3O4/c1-25-18-7-6-16-19(22-18)12(8-9-21-16)2-3-14-4-5-15(20)17(26-14)10-13(24)11-23/h6-9,13-15,17,23-24H,2-5,10-11,20H2,1H3/t13?,14-,15-,17-/m1/s1
InChIKeyGRJCLRJSHSXENH-HYGDKIEISA-N
XLogP1.19
TPSA110.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol 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 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol?
The IUPAC name of 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol (CID 67996772) is 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol.
What is the SMILES notation for 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol?
The canonical SMILES for 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol is COc1ccc2nccc(CC[C@@H]3CC[C@@H](N)[C@@H](CC(O)CO)O3)c2n1.
What is the InChIKey of 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol?
The InChIKey is GRJCLRJSHSXENH-HYGDKIEISA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-18-7-6-16-19(22-18)12(8-9-21-16)2-3-14-4-5-15(20)17(26-14)10-13(24)11-23/h6-9,13-15,17,23-24H,2-5,10-11,20H2,1H3/t13?,14-,15-,17-/m1/s1.
What are the key properties of 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol?
3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol has a molecular weight of 361.44 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol is sourced from PubChem (CID 67996772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).