ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate

C10H11N7O3 — CID 5277679

IUPACethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate
SMILESCCOC(=O)Nc1cc(N)c2c(n1)OCC(N=[N+]=[N-])=N2
InChIInChI=1S/C10H11N7O3/c1-2-19-10(18)15-6-3-5(11)8-9(14-6)20-4-7(13-8)16-17-12/h3H,2,4H2,1H3,(H3,11,14,15,18)
InChIKeyMVUZBMYTNWHSOT-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.96
Rot. Bonds2

About ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate

ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate (PubChem CID 5277679) has the molecular formula C10H11N7O3 and a molecular weight of 277.24 g/mol. Its IUPAC name is ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate
PubChem CID5277679
Molecular FormulaC10H11N7O3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Nameethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate
SMILESCCOC(=O)Nc1cc(N)c2c(n1)OCC(N=[N+]=[N-])=N2
InChIInChI=1S/C10H11N7O3/c1-2-19-10(18)15-6-3-5(11)8-9(14-6)20-4-7(13-8)16-17-12/h3H,2,4H2,1H3,(H3,11,14,15,18)
InChIKeyMVUZBMYTNWHSOT-UHFFFAOYSA-N
XLogP1.96
TPSA147.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate?
The IUPAC name of ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate (CID 5277679) is ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate.
What is the SMILES notation for ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate?
The canonical SMILES for ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate is CCOC(=O)Nc1cc(N)c2c(n1)OCC(N=[N+]=[N-])=N2.
What is the InChIKey of ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate?
The InChIKey is MVUZBMYTNWHSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O3/c1-2-19-10(18)15-6-3-5(11)8-9(14-6)20-4-7(13-8)16-17-12/h3H,2,4H2,1H3,(H3,11,14,15,18).
What are the key properties of ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate?
ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate has a molecular weight of 277.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(8-amino-2-azido-3H-pyrido[2,3-b][1,4]oxazin-6-yl)carbamate is sourced from PubChem (CID 5277679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).