(3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide

C24H24N4O7 — CID 66736308

IUPAC(3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
SMILESCOc1ccc2nccc([C@@H](O)CC(=O)NCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C24H24N4O7/c1-32-22-5-3-17-23(27-22)16(6-7-25-17)18(29)11-21(30)26-12-15-13-28(24(31)35-15)14-2-4-19-20(10-14)34-9-8-33-19/h2-7,10,15,18,29H,8-9,11-13H2,1H3,(H,26,30)/t15?,18-/m0/s1
InChIKeyPMXMPKWIYBBOTF-PKHIMPSTSA-N
MW480.48 g/mol
LogP1.97
Rot. Bonds7

About (3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide

(3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide (PubChem CID 66736308) has the molecular formula C24H24N4O7 and a molecular weight of 480.48 g/mol. Its IUPAC name is (3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-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-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
PubChem CID66736308
Molecular FormulaC24H24N4O7
Molecular Weight480.48 g/mol
Exact Mass480.16
IUPAC Name(3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
SMILESCOc1ccc2nccc([C@@H](O)CC(=O)NCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C24H24N4O7/c1-32-22-5-3-17-23(27-22)16(6-7-25-17)18(29)11-21(30)26-12-15-13-28(24(31)35-15)14-2-4-19-20(10-14)34-9-8-33-19/h2-7,10,15,18,29H,8-9,11-13H2,1H3,(H,26,30)/t15?,18-/m0/s1
InChIKeyPMXMPKWIYBBOTF-PKHIMPSTSA-N
XLogP1.97
TPSA132.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide with MolForge

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one
CID 66736510
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
CID 66737018
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
(2R)-2-amino-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)propanamide
CID 66737929
(5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
CID 66736309
5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
CID 66954480
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one
CID 25116714
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
CID 25117388
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(1R)-1-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
CID 68599552
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-hydroxy-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
CID 68602022
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 25113989
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-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-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide (CID 66736308) is (3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-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-[[3-(2,3-dihydro-1,4-benzodioxin-6-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-[[3-(2,3-dihydro-1,4-benzodioxin-6-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)NCC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.
What is the InChIKey of (3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide?
The InChIKey is PMXMPKWIYBBOTF-PKHIMPSTSA-N. The full InChI is InChI=1S/C24H24N4O7/c1-32-22-5-3-17-23(27-22)16(6-7-25-17)18(29)11-21(30)26-12-15-13-28(24(31)35-15)14-2-4-19-20(10-14)34-9-8-33-19/h2-7,10,15,18,29H,8-9,11-13H2,1H3,(H,26,30)/t15?,18-/m0/s1.
What are the key properties of (3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide?
(3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-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 480.48 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-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 66736308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).