6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C28H29N7O4 — CID 122187109

IUPAC6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ccc(Oc6cccnc6)nc54)CC3)nc2N1
InChIInChI=1S/C28H29N7O4/c36-24-18-38-23-6-5-21(31-27(23)32-24)16-30-20-9-12-34(13-10-20)14-15-35-26(37)8-4-19-3-7-25(33-28(19)35)39-22-2-1-11-29-17-22/h1-8,11,17,20,30H,9-10,12-16,18H2,(H,31,32,36)
InChIKeyOFHHNHGRVODFKG-UHFFFAOYSA-N
MW527.59 g/mol
LogP2.56
Rot. Bonds8

About 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,8-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-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122187109) 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-1,8-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-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID122187109
Molecular FormulaC28H29N7O4
Molecular Weight527.59 g/mol
Exact Mass527.23
IUPAC Name6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ccc(Oc6cccnc6)nc54)CC3)nc2N1
InChIInChI=1S/C28H29N7O4/c36-24-18-38-23-6-5-21(31-27(23)32-24)16-30-20-9-12-34(13-10-20)14-15-35-26(37)8-4-19-3-7-25(33-28(19)35)39-22-2-1-11-29-17-22/h1-8,11,17,20,30H,9-10,12-16,18H2,(H,31,32,36)
InChIKeyOFHHNHGRVODFKG-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-1,8-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-1,8-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-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 122187109) is 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,8-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-1,8-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-1,8-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)ccc5ccc(Oc6cccnc6)nc54)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is OFHHNHGRVODFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O4/c36-24-18-38-23-6-5-21(31-27(23)32-24)16-30-20-9-12-34(13-10-20)14-15-35-26(37)8-4-19-3-7-25(33-28(19)35)39-22-2-1-11-29-17-22/h1-8,11,17,20,30H,9-10,12-16,18H2,(H,31,32,36).
What are the key properties of 6-[[[1-[2-(2-oxo-7-pyridin-3-yloxy-1,8-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-1,8-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-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 122187109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).