6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C26H29N5O4 — CID 71153008

IUPAC6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1nccc2c1ccc(=O)n2CCC12CCC(NCc3ccc4c(n3)NC(=O)CO4)(CC1)CO2
InChIInChI=1S/C26H29N5O4/c1-17-19-3-5-23(33)31(20(19)6-12-27-17)13-11-26-9-7-25(8-10-26,16-35-26)28-14-18-2-4-21-24(29-18)30-22(32)15-34-21/h2-6,12,28H,7-11,13-16H2,1H3,(H,29,30,32)
InChIKeyQWASJHANVGCVLT-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.69
Rot. Bonds6

About 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 71153008) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID71153008
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1nccc2c1ccc(=O)n2CCC12CCC(NCc3ccc4c(n3)NC(=O)CO4)(CC1)CO2
InChIInChI=1S/C26H29N5O4/c1-17-19-3-5-23(33)31(20(19)6-12-27-17)13-11-26-9-7-25(8-10-26,16-35-26)28-14-18-2-4-21-24(29-18)30-22(32)15-34-21/h2-6,12,28H,7-11,13-16H2,1H3,(H,29,30,32)
InChIKeyQWASJHANVGCVLT-UHFFFAOYSA-N
XLogP2.69
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152864
6-[[[1-[2-[7-[(2-methylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90363084
5-(2-hydroxyethyl)-6-oxo-4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridine-3-carbonitrile
CID 171357833
6-[[[1-[2-[6-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118736051
6-[[[1-[2-(3-fluoro-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152940
6-[[[1-[2-(6-methoxy-3-methylsulfonyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118735870
ethane;6-[[[1-[2-(3-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144500237
6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71153155
6-[[[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 90355492
4-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-6-propoxy-1,5-naphthyridine-3-carbonitrile
CID 90363059
methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate
CID 123190741
6-[[[1-[2-[6-[(3-amino-4-oxoazetidin-2-yl)methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 78015452

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 71153008) is 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cc1nccc2c1ccc(=O)n2CCC12CCC(NCc3ccc4c(n3)NC(=O)CO4)(CC1)CO2.
What is the InChIKey of 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is QWASJHANVGCVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-17-19-3-5-23(33)31(20(19)6-12-27-17)13-11-26-9-7-25(8-10-26,16-35-26)28-14-18-2-4-21-24(29-18)30-22(32)15-34-21/h2-6,12,28H,7-11,13-16H2,1H3,(H,29,30,32).
What are the key properties of 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 475.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(5-methyl-2-oxo-1,6-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 71153008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).