(E)-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)prop-2-enamide

C26H24N4O7 — CID 66737474

IUPAC(E)-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)prop-2-enamide
SMILESCOc1ccc2nccc(/C(O)=C\C(=O)NC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
InChIInChI=1S/C26H24N4O7/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/h2-3,5,7-11,14-15,17,31H,4,6,12-13H2,1H3,(H,28,32)/b20-11+/t17-/m1/s1
InChIKeyKJIXINMQNLCLGC-MLHZQLSASA-N
MW504.50 g/mol
LogP3.44
Rot. Bonds7

About (E)-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)prop-2-enamide

(E)-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)prop-2-enamide (PubChem CID 66737474) has the molecular formula C26H24N4O7 and a molecular weight of 504.50 g/mol. Its IUPAC name is (E)-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)prop-2-enamide.

Molecular Properties

Compound Name(E)-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)prop-2-enamide
PubChem CID66737474
Molecular FormulaC26H24N4O7
Molecular Weight504.50 g/mol
Exact Mass504.16
IUPAC Name(E)-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)prop-2-enamide
SMILESCOc1ccc2nccc(/C(O)=C\C(=O)NC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
InChIInChI=1S/C26H24N4O7/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/h2-3,5,7-11,14-15,17,31H,4,6,12-13H2,1H3,(H,28,32)/b20-11+/t17-/m1/s1
InChIKeyKJIXINMQNLCLGC-MLHZQLSASA-N
XLogP3.44
TPSA132.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-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)prop-2-enamide?
The IUPAC name of (E)-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)prop-2-enamide (CID 66737474) is (E)-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)prop-2-enamide.
What is the SMILES notation for (E)-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)prop-2-enamide?
The canonical SMILES for (E)-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)prop-2-enamide is COc1ccc2nccc(/C(O)=C\C(=O)NC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1.
What is the InChIKey of (E)-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)prop-2-enamide?
The InChIKey is KJIXINMQNLCLGC-MLHZQLSASA-N. The full InChI is InChI=1S/C26H24N4O7/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/h2-3,5,7-11,14-15,17,31H,4,6,12-13H2,1H3,(H,28,32)/b20-11+/t17-/m1/s1.
What are the key properties of (E)-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)prop-2-enamide?
(E)-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)prop-2-enamide has a molecular weight of 504.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-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)prop-2-enamide is sourced from PubChem (CID 66737474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).