N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide

C24H22N4O6 — CID 91422533

IUPACN-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide
SMILESCOc1ccc2nccc(C=CC(=O)NC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C24H22N4O6/c1-31-22-7-4-18-23(27-22)15(8-9-25-18)2-6-21(29)26-13-17-14-28(24(30)34-17)16-3-5-19-20(12-16)33-11-10-32-19/h2-9,12,17H,10-11,13-14H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyXKBGLHPNKNEHLH-QGZVFWFLSA-N
MW462.46 g/mol
LogP2.56
Rot. Bonds6

About N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide

N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide (PubChem CID 91422533) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide
PubChem CID91422533
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC NameN-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide
SMILESCOc1ccc2nccc(C=CC(=O)NC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C24H22N4O6/c1-31-22-7-4-18-23(27-22)15(8-9-25-18)2-6-21(29)26-13-17-14-28(24(30)34-17)16-3-5-19-20(12-16)33-11-10-32-19/h2-9,12,17H,10-11,13-14H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyXKBGLHPNKNEHLH-QGZVFWFLSA-N
XLogP2.56
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide?
The IUPAC name of N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide (CID 91422533) is N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide.
What is the SMILES notation for N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide?
The canonical SMILES for N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide is COc1ccc2nccc(C=CC(=O)NC[C@@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.
What is the InChIKey of N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide?
The InChIKey is XKBGLHPNKNEHLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22N4O6/c1-31-22-7-4-18-23(27-22)15(8-9-25-18)2-6-21(29)26-13-17-14-28(24(30)34-17)16-3-5-19-20(12-16)33-11-10-32-19/h2-9,12,17H,10-11,13-14H2,1H3,(H,26,29)/t17-/m1/s1.
What are the key properties of N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide?
N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide has a molecular weight of 462.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide is sourced from PubChem (CID 91422533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).