N-(4-nitro-2-pyridinyl)-N-oxidoacetamide

C7H6N3O4- — CID 45116343

IUPACN-(4-nitro-2-pyridinyl)-N-oxidoacetamide
SMILESCC(=O)N([O-])c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C7H6N3O4/c1-5(11)9(12)7-4-6(10(13)14)2-3-8-7/h2-4H,1H3/q-1
InChIKeyVCJGESNJQAEHNU-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.84
Rot. Bonds2

About N-(4-nitro-2-pyridinyl)-N-oxidoacetamide

N-(4-nitro-2-pyridinyl)-N-oxidoacetamide (PubChem CID 45116343) has the molecular formula C7H6N3O4- and a molecular weight of 196.14 g/mol. Its IUPAC name is N-(4-nitro-2-pyridinyl)-N-oxidoacetamide.

Molecular Properties

Compound NameN-(4-nitro-2-pyridinyl)-N-oxidoacetamide
PubChem CID45116343
Molecular FormulaC7H6N3O4-
Molecular Weight196.14 g/mol
Exact Mass196.04
IUPAC NameN-(4-nitro-2-pyridinyl)-N-oxidoacetamide
SMILESCC(=O)N([O-])c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C7H6N3O4/c1-5(11)9(12)7-4-6(10(13)14)2-3-8-7/h2-4H,1H3/q-1
InChIKeyVCJGESNJQAEHNU-UHFFFAOYSA-N
XLogP0.84
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.84
H-Bond Donors ≤ 50
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

N-methyl-N-(4-nitro-2-pyridinyl)acetamide
CID 166160271
N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide
CID 162428394
N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide
CID 162428198
ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62006831
methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62005391
N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide
CID 162428424
N-benzyl-N-methyl-4-nitropyridin-2-amine
CID 82117853
(4-nitro-2-pyridinyl)methyl acetate
CID 14761430
N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide
CID 94281750
1,1-dimethyl-2-(4-nitro-2-pyridinyl)hydrazine
CID 83025826
ethyl 4-(4-nitro-2-pyridinyl)but-3-enoate
CID 170796100
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-2-pyridinyl)-N-oxidoacetamide?
The IUPAC name of N-(4-nitro-2-pyridinyl)-N-oxidoacetamide (CID 45116343) is N-(4-nitro-2-pyridinyl)-N-oxidoacetamide.
What is the SMILES notation for N-(4-nitro-2-pyridinyl)-N-oxidoacetamide?
The canonical SMILES for N-(4-nitro-2-pyridinyl)-N-oxidoacetamide is CC(=O)N([O-])c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-(4-nitro-2-pyridinyl)-N-oxidoacetamide?
The InChIKey is VCJGESNJQAEHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N3O4/c1-5(11)9(12)7-4-6(10(13)14)2-3-8-7/h2-4H,1H3/q-1.
What are the key properties of N-(4-nitro-2-pyridinyl)-N-oxidoacetamide?
N-(4-nitro-2-pyridinyl)-N-oxidoacetamide has a molecular weight of 196.14 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-2-pyridinyl)-N-oxidoacetamide is sourced from PubChem (CID 45116343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).