N-(5-nitro-2-pyridinyl)propanamide

C8H9N3O3 — CID 3568425

IUPACN-(5-nitro-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H9N3O3/c1-2-8(12)10-7-4-3-6(5-9-7)11(13)14/h3-5H,2H2,1H3,(H,9,10,12)
InChIKeyCXFLZJRNXNZWES-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.34
Rot. Bonds3

About N-(5-nitro-2-pyridinyl)propanamide

N-(5-nitro-2-pyridinyl)propanamide (PubChem CID 3568425) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)propanamide
PubChem CID3568425
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN-(5-nitro-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H9N3O3/c1-2-8(12)10-7-4-3-6(5-9-7)11(13)14/h3-5H,2H2,1H3,(H,9,10,12)
InChIKeyCXFLZJRNXNZWES-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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-(5-nitro-2-pyridinyl)propanamide?
The IUPAC name of N-(5-nitro-2-pyridinyl)propanamide (CID 3568425) is N-(5-nitro-2-pyridinyl)propanamide.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)propanamide?
The canonical SMILES for N-(5-nitro-2-pyridinyl)propanamide is CCC(=O)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(5-nitro-2-pyridinyl)propanamide?
The InChIKey is CXFLZJRNXNZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-2-8(12)10-7-4-3-6(5-9-7)11(13)14/h3-5H,2H2,1H3,(H,9,10,12).
What are the key properties of N-(5-nitro-2-pyridinyl)propanamide?
N-(5-nitro-2-pyridinyl)propanamide has a molecular weight of 195.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)propanamide is sourced from PubChem (CID 3568425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).