N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide

C9H11N3O4 — CID 23966737

IUPACN-(4-ethoxy-5-nitro-2-pyridinyl)acetamide
SMILESCCOc1cc(NC(C)=O)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-3-16-8-4-9(11-6(2)13)10-5-7(8)12(14)15/h4-5H,3H2,1-2H3,(H,10,11,13)
InChIKeyZLEGGCVRSMGGLZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.35
Rot. Bonds4

About N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide

N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide (PubChem CID 23966737) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-5-nitro-2-pyridinyl)acetamide
PubChem CID23966737
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-(4-ethoxy-5-nitro-2-pyridinyl)acetamide
SMILESCCOc1cc(NC(C)=O)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-3-16-8-4-9(11-6(2)13)10-5-7(8)12(14)15/h4-5H,3H2,1-2H3,(H,10,11,13)
InChIKeyZLEGGCVRSMGGLZ-UHFFFAOYSA-N
XLogP1.35
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-acetamido-4-ethoxy-2-nitrobenzoic acid
CID 56605207
N-(5-nitroisoquinolin-3-yl)acetamide
CID 16749041
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 34136931
N-(5-ethoxy-2,4-dinitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 14577516
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate
CID 46809201
N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973
methyl 2-[(2-chloro-5-nitro-4-pyridinyl)oxy]acetate
CID 118278448
N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide
CID 91674197
N-[(4-ethoxy-3-methylphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339278
N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 50887207
5-bromo-1-ethoxy-2-methoxy-3-nitrobenzene;methyl acetate
CID 174439392
1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone
CID 171033703

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide?
The IUPAC name of N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide (CID 23966737) is N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide?
The canonical SMILES for N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide is CCOc1cc(NC(C)=O)ncc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide?
The InChIKey is ZLEGGCVRSMGGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-3-16-8-4-9(11-6(2)13)10-5-7(8)12(14)15/h4-5H,3H2,1-2H3,(H,10,11,13).
What are the key properties of N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide?
N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide has a molecular weight of 225.20 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 23966737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).