N-(6-methyl-5-nitro-2-pyridinyl)acetamide

C8H9N3O3 — CID 4072726

IUPACN-(6-methyl-5-nitro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C8H9N3O3/c1-5-7(11(13)14)3-4-8(9-5)10-6(2)12/h3-4H,1-2H3,(H,9,10,12)
InChIKeyAPOWIBWCHFFTST-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.26
Rot. Bonds2

About N-(6-methyl-5-nitro-2-pyridinyl)acetamide

N-(6-methyl-5-nitro-2-pyridinyl)acetamide (PubChem CID 4072726) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(6-methyl-5-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-5-nitro-2-pyridinyl)acetamide
PubChem CID4072726
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN-(6-methyl-5-nitro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C8H9N3O3/c1-5-7(11(13)14)3-4-8(9-5)10-6(2)12/h3-4H,1-2H3,(H,9,10,12)
InChIKeyAPOWIBWCHFFTST-UHFFFAOYSA-N
XLogP1.26
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-5-nitro-2-pyridinyl)acetamide?
The IUPAC name of N-(6-methyl-5-nitro-2-pyridinyl)acetamide (CID 4072726) is N-(6-methyl-5-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for N-(6-methyl-5-nitro-2-pyridinyl)acetamide?
The canonical SMILES for N-(6-methyl-5-nitro-2-pyridinyl)acetamide is CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-(6-methyl-5-nitro-2-pyridinyl)acetamide?
The InChIKey is APOWIBWCHFFTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5-7(11(13)14)3-4-8(9-5)10-6(2)12/h3-4H,1-2H3,(H,9,10,12).
What are the key properties of N-(6-methyl-5-nitro-2-pyridinyl)acetamide?
N-(6-methyl-5-nitro-2-pyridinyl)acetamide has a molecular weight of 195.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-5-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 4072726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).