2-ethyl-N-(5-nitro-2-pyridinyl)butanamide

C11H15N3O3 — CID 2931999

IUPAC2-ethyl-N-(5-nitro-2-pyridinyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H15N3O3/c1-3-8(4-2)11(15)13-10-6-5-9(7-12-10)14(16)17/h5-8H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyGPDNDHDFFZPJGP-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.36
Rot. Bonds5

About 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide

2-ethyl-N-(5-nitro-2-pyridinyl)butanamide (PubChem CID 2931999) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(5-nitro-2-pyridinyl)butanamide
PubChem CID2931999
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-ethyl-N-(5-nitro-2-pyridinyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H15N3O3/c1-3-8(4-2)11(15)13-10-6-5-9(7-12-10)14(16)17/h5-8H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyGPDNDHDFFZPJGP-UHFFFAOYSA-N
XLogP2.36
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.36
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 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide?
The IUPAC name of 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide (CID 2931999) is 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide?
The canonical SMILES for 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide is CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide?
The InChIKey is GPDNDHDFFZPJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-8(4-2)11(15)13-10-6-5-9(7-12-10)14(16)17/h5-8H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide?
2-ethyl-N-(5-nitro-2-pyridinyl)butanamide has a molecular weight of 237.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-nitro-2-pyridinyl)butanamide is sourced from PubChem (CID 2931999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).