3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one

C26H31N5O4 — CID 66954206

IUPAC3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCCOc1ccc(N2CC(CNC3CCN(c4ccnc5ccc(OC)nc45)CC3)OC2=O)cc1
InChIInChI=1S/C26H31N5O4/c1-3-34-20-6-4-19(5-7-20)31-17-21(35-26(31)32)16-28-18-11-14-30(15-12-18)23-10-13-27-22-8-9-24(33-2)29-25(22)23/h4-10,13,18,21,28H,3,11-12,14-17H2,1-2H3
InChIKeySYTPOJFLKNYNIN-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.62
Rot. Bonds8

About 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one

3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 66954206) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one
PubChem CID66954206
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCCOc1ccc(N2CC(CNC3CCN(c4ccnc5ccc(OC)nc45)CC3)OC2=O)cc1
InChIInChI=1S/C26H31N5O4/c1-3-34-20-6-4-19(5-7-20)31-17-21(35-26(31)32)16-28-18-11-14-30(15-12-18)23-10-13-27-22-8-9-24(33-2)29-25(22)23/h4-10,13,18,21,28H,3,11-12,14-17H2,1-2H3
InChIKeySYTPOJFLKNYNIN-UHFFFAOYSA-N
XLogP3.62
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one (CID 66954206) is 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one is CCOc1ccc(N2CC(CNC3CCN(c4ccnc5ccc(OC)nc45)CC3)OC2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is SYTPOJFLKNYNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-3-34-20-6-4-19(5-7-20)31-17-21(35-26(31)32)16-28-18-11-14-30(15-12-18)23-10-13-27-22-8-9-24(33-2)29-25(22)23/h4-10,13,18,21,28H,3,11-12,14-17H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one?
3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 477.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66954206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).