6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C28H29N7O4 — CID 122187100

IUPAC6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(Oc6cccnc6)cc54)CC3)nc2N1
InChIInChI=1S/C28H29N7O4/c36-26-18-38-25-5-3-20(32-28(25)33-26)15-30-19-7-10-34(11-8-19)12-13-35-24-14-22(39-21-2-1-9-29-16-21)17-31-23(24)4-6-27(35)37/h1-6,9,14,16-17,19,30H,7-8,10-13,15,18H2,(H,32,33,36)
InChIKeyQTVDOOXOPFOZSP-UHFFFAOYSA-N
MW527.59 g/mol
LogP2.56
Rot. Bonds8

About 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122187100) has the molecular formula C28H29N7O4 and a molecular weight of 527.59 g/mol. Its IUPAC name is 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID122187100
Molecular FormulaC28H29N7O4
Molecular Weight527.59 g/mol
Exact Mass527.23
IUPAC Name6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(Oc6cccnc6)cc54)CC3)nc2N1
InChIInChI=1S/C28H29N7O4/c36-26-18-38-25-5-3-20(32-28(25)33-26)15-30-19-7-10-34(11-8-19)12-13-35-24-14-22(39-21-2-1-9-29-16-21)17-31-23(24)4-6-27(35)37/h1-6,9,14,16-17,19,30H,7-8,10-13,15,18H2,(H,32,33,36)
InChIKeyQTVDOOXOPFOZSP-UHFFFAOYSA-N
XLogP2.56
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.59
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 122187100) is 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(Oc6cccnc6)cc54)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is QTVDOOXOPFOZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O4/c36-26-18-38-25-5-3-20(32-28(25)33-26)15-30-19-7-10-34(11-8-19)12-13-35-24-14-22(39-21-2-1-9-29-16-21)17-31-23(24)4-6-27(35)37/h1-6,9,14,16-17,19,30H,7-8,10-13,15,18H2,(H,32,33,36).
What are the key properties of 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 527.59 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 122187100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).