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

C16H15N5O6 — CID 110831553

IUPAC2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)COc3ccc(N)nc32)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N5O6/c1-26-9-2-3-10(11(6-9)21(24)25)18-14(22)7-20-15(23)8-27-12-4-5-13(17)19-16(12)20/h2-6H,7-8H2,1H3,(H2,17,19)(H,18,22)
InChIKeyAPCLFVFUCFFLJW-UHFFFAOYSA-N
MW373.33 g/mol
LogP0.94
Rot. Bonds5

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

2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 110831553) has the molecular formula C16H15N5O6 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID110831553
Molecular FormulaC16H15N5O6
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)COc3ccc(N)nc32)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N5O6/c1-26-9-2-3-10(11(6-9)21(24)25)18-14(22)7-20-15(23)8-27-12-4-5-13(17)19-16(12)20/h2-6H,7-8H2,1H3,(H2,17,19)(H,18,22)
InChIKeyAPCLFVFUCFFLJW-UHFFFAOYSA-N
XLogP0.94
TPSA149.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110831550
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4857034
N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831814
N-(2-methyl-4-propan-2-yloxyphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55887556
ethyl 2-[2-[[2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110831568
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456709
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 25412159

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 110831553) is 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)COc3ccc(N)nc32)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is APCLFVFUCFFLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O6/c1-26-9-2-3-10(11(6-9)21(24)25)18-14(22)7-20-15(23)8-27-12-4-5-13(17)19-16(12)20/h2-6H,7-8H2,1H3,(H2,17,19)(H,18,22).
What are the key properties of 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 373.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 110831553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).