6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H28N6O5 — CID 44594174

IUPAC6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
InChIInChI=1S/C24H28N6O5/c1-33-21-8-2-14-3-9-22(32)30(24(14)29-21)11-17(25)18-6-5-16(12-34-18)26-10-15-4-7-19-23(27-15)28-20(31)13-35-19/h2-4,7-9,16-18,26H,5-6,10-13,25H2,1H3,(H,27,28,31)/t16-,17+,18+/m1/s1
InChIKeyGRWVMPJVTIWGHC-SQNIBIBYSA-N
MW480.53 g/mol
LogP0.80
Rot. Bonds7

About 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 44594174) has the molecular formula C24H28N6O5 and a molecular weight of 480.53 g/mol. Its IUPAC name is 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID44594174
Molecular FormulaC24H28N6O5
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC Name6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1
InChIInChI=1S/C24H28N6O5/c1-33-21-8-2-14-3-9-22(32)30(24(14)29-21)11-17(25)18-6-5-16(12-34-18)26-10-15-4-7-19-23(27-15)28-20(31)13-35-19/h2-4,7-9,16-18,26H,5-6,10-13,25H2,1H3,(H,27,28,31)/t16-,17+,18+/m1/s1
InChIKeyGRWVMPJVTIWGHC-SQNIBIBYSA-N
XLogP0.80
TPSA142.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-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-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 44594174) is 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1.
What is the InChIKey of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GRWVMPJVTIWGHC-SQNIBIBYSA-N. The full InChI is InChI=1S/C24H28N6O5/c1-33-21-8-2-14-3-9-22(32)30(24(14)29-21)11-17(25)18-6-5-16(12-34-18)26-10-15-4-7-19-23(27-15)28-20(31)13-35-19/h2-4,7-9,16-18,26H,5-6,10-13,25H2,1H3,(H,27,28,31)/t16-,17+,18+/m1/s1.
What are the key properties of 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 480.53 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 44594174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).