(3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide

C26H26N4O7 — CID 66736118

About (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide

(3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide (PubChem CID 66736118) has the molecular formula C26H26N4O7 and a molecular weight of 506.52 g/mol. Its IUPAC name is (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide.

Molecular Properties

• Compound Name: (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
• PubChem CID: 66736118
• Molecular Formula: C26H26N4O7
• Molecular Weight: 506.52 g/mol
• Exact Mass: 506.18
• IUPAC Name: (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
• SMILES: COc1ccc2nccc([C@@H](O)CC(=O)NC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
• InChI: InChI=1S/C26H26N4O7/c1-34-23-8-7-19-25(29-23)18(9-10-27-19)20(31)11-22(32)28-12-17-13-30(26(33)36-17)24-15-35-14-21(37-24)16-5-3-2-4-6-16/h2-3,5,7-10,14-15,17,20,31H,4,6,11-13H2,1H3,(H,28,32)/t17-,20+/m1/s1
• InChIKey: UPVFQHIBDAOMEW-XLIONFOSSA-N
• XLogP: 2.96
• TPSA: 132.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.52
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide?

The IUPAC name of (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide (CID 66736118) is (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide.

What is the SMILES notation for (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide?

The canonical SMILES for (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide is COc1ccc2nccc([C@@H](O)CC(=O)NC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1.

What is the InChIKey of (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide?

The InChIKey is UPVFQHIBDAOMEW-XLIONFOSSA-N. The full InChI is InChI=1S/C26H26N4O7/c1-34-23-8-7-19-25(29-23)18(9-10-27-19)20(31)11-22(32)28-12-17-13-30(26(33)36-17)24-15-35-14-21(37-24)16-5-3-2-4-6-16/h2-3,5,7-10,14-15,17,20,31H,4,6,11-13H2,1H3,(H,28,32)/t17-,20+/m1/s1.

What are the key properties of (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide?

(3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide has a molecular weight of 506.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide is sourced from PubChem (CID 66736118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).