N-methyl-N-(4-nitro-2-pyridinyl)acetamide

C8H9N3O3 — CID 166160271

IUPACN-methyl-N-(4-nitro-2-pyridinyl)acetamide
SMILESCC(=O)N(C)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C8H9N3O3/c1-6(12)10(2)8-5-7(11(13)14)3-4-9-8/h3-5H,1-2H3
InChIKeyKVBMYVKMWVNWMX-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.97
Rot. Bonds2

About N-methyl-N-(4-nitro-2-pyridinyl)acetamide

N-methyl-N-(4-nitro-2-pyridinyl)acetamide (PubChem CID 166160271) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N-methyl-N-(4-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-nitro-2-pyridinyl)acetamide
PubChem CID166160271
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN-methyl-N-(4-nitro-2-pyridinyl)acetamide
SMILESCC(=O)N(C)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C8H9N3O3/c1-6(12)10(2)8-5-7(11(13)14)3-4-9-8/h3-5H,1-2H3
InChIKeyKVBMYVKMWVNWMX-UHFFFAOYSA-N
XLogP0.97
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-nitro-2-pyridinyl)-N-oxidoacetamide
CID 45116343
N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide
CID 162428394
N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide
CID 162428198
N-benzyl-N-methyl-4-nitropyridin-2-amine
CID 82117853
methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62005391
N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide
CID 162428424
ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62006831
1,1-dimethyl-2-(4-nitro-2-pyridinyl)hydrazine
CID 83025826
(4-nitro-2-pyridinyl)methyl acetate
CID 14761430
N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide
CID 94281750
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide
CID 90020028
N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide
CID 103111708

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitro-2-pyridinyl)acetamide?
The IUPAC name of N-methyl-N-(4-nitro-2-pyridinyl)acetamide (CID 166160271) is N-methyl-N-(4-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-nitro-2-pyridinyl)acetamide?
The canonical SMILES for N-methyl-N-(4-nitro-2-pyridinyl)acetamide is CC(=O)N(C)c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-methyl-N-(4-nitro-2-pyridinyl)acetamide?
The InChIKey is KVBMYVKMWVNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-6(12)10(2)8-5-7(11(13)14)3-4-9-8/h3-5H,1-2H3.
What are the key properties of N-methyl-N-(4-nitro-2-pyridinyl)acetamide?
N-methyl-N-(4-nitro-2-pyridinyl)acetamide has a molecular weight of 195.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 166160271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).