(5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one

C26H29N5O5 — CID 66736945

IUPAC(5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C[C@H](N)CNC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
InChIInChI=1S/C26H29N5O5/c1-33-23-8-7-21-25(30-23)18(9-10-29-21)11-19(27)12-28-13-20-14-31(26(32)35-20)24-16-34-15-22(36-24)17-5-3-2-4-6-17/h2-3,5,7-10,15-16,19-20,28H,4,6,11-14,27H2,1H3/t19-,20+/m0/s1
InChIKeySCXPSWHBYBVFQV-VQTJNVASSA-N
MW491.55 g/mol
LogP2.88
Rot. Bonds9

About (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one

(5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one (PubChem CID 66736945) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one
PubChem CID66736945
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name(5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C[C@H](N)CNC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
InChIInChI=1S/C26H29N5O5/c1-33-23-8-7-21-25(30-23)18(9-10-29-21)11-19(27)12-28-13-20-14-31(26(32)35-20)24-16-34-15-22(36-24)17-5-3-2-4-6-17/h2-3,5,7-10,15-16,19-20,28H,4,6,11-14,27H2,1H3/t19-,20+/m0/s1
InChIKeySCXPSWHBYBVFQV-VQTJNVASSA-N
XLogP2.88
TPSA121.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one (CID 66736945) is (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(C[C@H](N)CNC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1.
What is the InChIKey of (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is SCXPSWHBYBVFQV-VQTJNVASSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-33-23-8-7-21-25(30-23)18(9-10-29-21)11-19(27)12-28-13-20-14-31(26(32)35-20)24-16-34-15-22(36-24)17-5-3-2-4-6-17/h2-3,5,7-10,15-16,19-20,28H,4,6,11-14,27H2,1H3/t19-,20+/m0/s1.
What are the key properties of (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one?
(5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 491.55 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).