2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide

C20H26N4O4 — CID 69192941

About 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide

2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 69192941) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 69192941
• Molecular Formula: C20H26N4O4
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.20
• IUPAC Name: 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide
• SMILES: COc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](N)[C@@H](CC(=O)NCCO)O3)c2n1
• InChI: InChI=1S/C20H26N4O4/c1-27-19-7-6-16-20(24-19)13(8-9-22-16)2-3-14-4-5-15(21)17(28-14)12-18(26)23-10-11-25/h2-3,6-9,14-15,17,25H,4-5,10-12,21H2,1H3,(H,23,26)/b3-2+/t14-,15-,17-/m1/s1
• InChIKey: VYLFJPDWBNLZKT-AXTNZVBRSA-N
• XLogP: 1.03
• TPSA: 119.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide (CID 69192941) is 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide?

The canonical SMILES for 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide is COc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](N)[C@@H](CC(=O)NCCO)O3)c2n1.

What is the InChIKey of 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide?

The InChIKey is VYLFJPDWBNLZKT-AXTNZVBRSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-19-7-6-16-20(24-19)13(8-9-22-16)2-3-14-4-5-15(21)17(28-14)12-18(26)23-10-11-25/h2-3,6-9,14-15,17,25H,4-5,10-12,21H2,1H3,(H,23,26)/b3-2+/t14-,15-,17-/m1/s1.

What are the key properties of 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide?

2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 69192941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).