2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide

C17H17N5O5 — CID 110831660

IUPAC2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide
SMILESCCC1Oc2ccc(N)nc2N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C17H17N5O5/c1-2-12-17(24)21(16-13(27-12)6-7-14(18)20-16)9-15(23)19-10-4-3-5-11(8-10)22(25)26/h3-8,12H,2,9H2,1H3,(H2,18,20)(H,19,23)
InChIKeyDUDOWWLHWXHVDM-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.71
Rot. Bonds5

About 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide

2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 110831660) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide
PubChem CID110831660
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide
SMILESCCC1Oc2ccc(N)nc2N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C17H17N5O5/c1-2-12-17(24)21(16-13(27-12)6-7-14(18)20-16)9-15(23)19-10-4-3-5-11(8-10)22(25)26/h3-8,12H,2,9H2,1H3,(H2,18,20)(H,19,23)
InChIKeyDUDOWWLHWXHVDM-UHFFFAOYSA-N
XLogP1.71
TPSA140.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-nitrophenyl)acetamide
CID 98208528
2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(3-nitrophenyl)acetamide
CID 124764241
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide;hydrate
CID 139088112
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
[2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate
CID 2358702
2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7800627
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776
[2-(3-nitroanilino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9407208
2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
CID 110831873
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3225047
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide (CID 110831660) is 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide is CCC1Oc2ccc(N)nc2N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is DUDOWWLHWXHVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5/c1-2-12-17(24)21(16-13(27-12)6-7-14(18)20-16)9-15(23)19-10-4-3-5-11(8-10)22(25)26/h3-8,12H,2,9H2,1H3,(H2,18,20)(H,19,23).
What are the key properties of 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide?
2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 371.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-ethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 110831660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).