N-(5-methyl-2-pyridinyl)-2-nitroacetamide

C8H9N3O3 — CID 12520553

IUPACN-(5-methyl-2-pyridinyl)-2-nitroacetamide
SMILESCc1ccc(NC(=O)C[N+](=O)[O-])nc1
InChIInChI=1S/C8H9N3O3/c1-6-2-3-7(9-4-6)10-8(12)5-11(13)14/h2-4H,5H2,1H3,(H,9,10,12)
InChIKeyGSFBMLGUKFMPEJ-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.61
Rot. Bonds3

About N-(5-methyl-2-pyridinyl)-2-nitroacetamide

N-(5-methyl-2-pyridinyl)-2-nitroacetamide (PubChem CID 12520553) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-nitroacetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-nitroacetamide
PubChem CID12520553
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN-(5-methyl-2-pyridinyl)-2-nitroacetamide
SMILESCc1ccc(NC(=O)C[N+](=O)[O-])nc1
InChIInChI=1S/C8H9N3O3/c1-6-2-3-7(9-4-6)10-8(12)5-11(13)14/h2-4H,5H2,1H3,(H,9,10,12)
InChIKeyGSFBMLGUKFMPEJ-UHFFFAOYSA-N
XLogP0.61
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.61
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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Related Compounds

N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
CID 2319869
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 843438
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
CID 79286305
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 971660

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-nitroacetamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-nitroacetamide (CID 12520553) is N-(5-methyl-2-pyridinyl)-2-nitroacetamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-nitroacetamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-nitroacetamide is Cc1ccc(NC(=O)C[N+](=O)[O-])nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-nitroacetamide?
The InChIKey is GSFBMLGUKFMPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-6-2-3-7(9-4-6)10-8(12)5-11(13)14/h2-4H,5H2,1H3,(H,9,10,12).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-nitroacetamide?
N-(5-methyl-2-pyridinyl)-2-nitroacetamide has a molecular weight of 195.18 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-nitroacetamide is sourced from PubChem (CID 12520553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).